diff --git a/.gitattributes b/.gitattributes new file mode 100644 index 0000000..997504b --- /dev/null +++ b/.gitattributes @@ -0,0 +1,2 @@ +# SCM syntax highlighting & preventing 3-way merges +pixi.lock merge=binary linguist-language=YAML linguist-generated=true -diff diff --git a/.gitignore b/.gitignore index 1b6ba4e..fdbd12d 100644 --- a/.gitignore +++ b/.gitignore @@ -212,3 +212,6 @@ src/experimental_binding_data.json src/rbfe_results* src/results src/bace_results* +# pixi environments +.pixi/* +!.pixi/config.toml diff --git a/README.md b/README.md index 9e3d94f..47ffa1c 100644 --- a/README.md +++ b/README.md @@ -4,11 +4,21 @@ You can find the demo notebook in `src/openfe_demo.ipynb`. See the [openfe git repo](https://github.com/OpenFreeEnergy/openfe) and [documentation](https://docs.openfree.energy/en/latest/) to learn more! -## Installing openfe locally +## Running the demo locally +### using `pixi` + +In this directory, run: + +```bash +pixi run demo +``` + + +### using `micromamba` To run the notebook locally, you'll need to install **openfe**: -Installing from conda-forge is simplest, and you can use `micromamba` (recommended), `mamba` or `conda`: +You can instead use `micromamba` (recommended), `mamba` or `conda`: ```bash diff --git a/env.yaml b/env.yaml index cc81fd6..2f89572 100644 --- a/env.yaml +++ b/env.yaml @@ -2,15 +2,6 @@ name: openfe-demo channels: - conda-forge dependencies: - - python=3.12 - - openfe=1.11 + - python=3.13 + - openfe=1.12 - notebook - - pip - - pip: - # this commit removes some warnings that are still in v1.11 but - # will be removed in v1.12 - - git+https://github.com/OpenFreeEnergy/openfe@dab402be8183 - # cinnabar v0.6.0 and openfe_analysis v0.5.0 will come packaged with openfe v1.12, - # but we want to show them off in this demo early! - - git+https://github.com/OpenFreeEnergy/cinnabar@0.6.0 - - git+https://github.com/OpenFreeEnergy/openfe_analysis@v0.5.0 diff --git a/pixi.lock b/pixi.lock new file mode 100644 index 0000000..1c42b65 --- /dev/null +++ b/pixi.lock @@ -0,0 +1,6085 @@ +version: 7 +platforms: +- name: osx-arm64 + virtual-packages: + - __unix=0=0 + - __osx=13.0 + - __archspec=0=m1 +environments: + default: + channels: + - url: https://conda.anaconda.org/conda-forge/ + packages: + osx-arm64: + - conda: https://conda.anaconda.org/conda-forge/noarch/_python_abi3_support-1.0-hd8ed1ab_3.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/adjusttext-1.4.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/adwaita-icon-theme-49.0-unix_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/annotated-types-0.8.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/anyio-4.14.2-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/appnope-0.1.4-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/argon2-cffi-25.1.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/arrow-1.4.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/asttokens-3.0.2-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/async-lru-2.3.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/attrs-26.1.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/babel-2.18.0-pyhcf101f3_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/beautifulsoup4-4.15.0-pyha770c72_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-6.4.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-with-css-6.4.0-hac0b51c_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/bson-0.5.10-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/ca-certificates-2026.7.22-hbd8a1cb_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/cachetools-7.1.7-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/certifi-2026.7.22-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/charset-normalizer-3.4.9-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/cinnabar-0.6.1-pyhc364b38_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/click-8.4.2-pyhc90fa1f_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/click-option-group-0.5.9-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/colorama-0.4.6-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/comm-0.2.3-pyhe01879c_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/cpython-3.13.15-py313hd8ed1ab_101.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/cycler-0.12.1-pyhcf101f3_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/defusedxml-0.7.1-pyhd8ed1ab_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/dill-0.4.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/exceptiongroup-1.3.1-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/executing-2.2.1-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/filelock-3.32.2-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/flexcache-0.3-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/flexparser-0.4-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-dejavu-sans-mono-2.37-hab24e00_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-inconsolata-3.000-h77eed37_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-source-code-pro-2.038-h77eed37_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_3.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-ecosystem-1-0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-hc364b38_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/fqdn-1.5.1-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/freetype-py-2.3.0-pyhd8ed1ab_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/fsspec-2026.7.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.2.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/gufe-1.12.0-pyhc364b38_3.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/h11-0.16.0-pyhcf101f3_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/h2-4.4.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/hpack-4.2.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/httpcore-1.0.9-pyh29332c3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/httpx-0.28.1-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/hyperframe-6.1.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/idna-3.18-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/importlib-metadata-9.0.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/importlib_resources-7.1.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/iniconfig-2.3.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/ipycytoscape-1.3.3-pyhd8ed1ab_1.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/ipykernel-7.3.0-pyh01cf8df_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/ipython-9.16.1-pyh53cf698_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/ipython_pygments_lexers-1.1.1-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/ipywidgets-8.1.8-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/isoduration-20.11.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jax-0.10.2-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jedi-0.20.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jinja2-3.1.6-pyhcf101f3_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/joblib-1.5.3-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/json5-0.15.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jsonpointer-3.1.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-4.26.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-specifications-2025.9.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-with-format-nongpl-4.26.0-hcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter-builder-1.2.2-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter-lsp-2.3.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_client-8.9.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_core-5.9.1-pyhc90fa1f_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_events-0.12.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server-2.20.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server_terminals-0.5.4-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab-4.6.3-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_pygments-0.3.0-pyhd8ed1ab_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_server-2.28.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_widgets-3.0.16-pyhcf101f3_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/kartograf-2.0.0-pyhc364b38_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/konnektor-0.4.0-pyhc364b38_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/lark-1.3.1-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/legacy-cgi-2.6.4-pyh742d864_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/lightning-utilities-0.15.3-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/lomap2-3.3.0-pyh49a906d_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/lomap2-base-3.3.0-pyhc364b38_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/markdown-it-py-4.2.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/matplotlib-inline-0.2.2-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/mdurl-0.1.2-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/mistune-3.3.4-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/mmtf-python-1.1.3-pyhd8ed1ab_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/mpiplus-v0.0.2-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/mpmath-1.3.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/mrcfile-1.5.4-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/munkres-1.1.4-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/narwhals-2.24.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/nbclient-0.11.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/nbconvert-core-7.17.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/nbformat-5.11.0-pyhcf101f3_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/nest-asyncio2-1.7.2-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/networkx-3.6.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/nomkl-1.0-h5ca1d4c_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/notebook-7.6.2-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/notebook-shim-0.2.4-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openfe-1.12.0-pyhe8f615d_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openfe-analysis-0.5.0-pyhc364b38_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openfe-base-1.12.0-pyhc364b38_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-amber-ff-ports-2025.09.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-forcefields-2026.01.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-interchange-0.5.3-pyhd8ed1ab_3.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-interchange-base-0.5.3-pyhd8ed1ab_3.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-0.5.5-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-base-0.5.5-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-models-2025.9.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-packmol-0.1-pyhc364b38_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-toolkit-0.18.1-pyhd8ed1ab_3.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-toolkit-base-0.18.1-pyhd8ed1ab_3.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-units-0.3.1-pyhd8ed1ab_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openff-utilities-0.1.17-pyhac95a24_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openmmforcefields-0.15.1-pyhcf101f3_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/openmmtools-0.26.0-pyhcf101f3_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/opt_einsum-3.4.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/overrides-7.7.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/packaging-26.3-pyhc364b38_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pandocfilters-1.5.0-pyhd8ed1ab_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/parso-0.8.7-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/patsy-1.0.2-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pdbfixer-1.12-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pexpect-4.9.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pint-0.24.4-pyhe01879c_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pip-26.2.1-pyh145f28c_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/platformdirs-4.11.2-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/plotly-6.9.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/plugcli-0.2.1-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pluggy-1.6.0-pyhf9edf01_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pooch-1.9.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/prometheus_client-0.26.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/prompt-toolkit-3.0.53-pyha770c72_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/ptyprocess-0.7.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pure_eval-0.2.3-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/py-cpuinfo-9.0.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/py3dmol-2.5.4-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-3.0.1-pyh7a1b43c_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-abi-11-hc364b38_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-global-3.0.1-pyhc7ab6ef_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pycparser-3.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pydantic-2.11.10-pyh3cfb1c2_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pyedr-0.8.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pygments-2.20.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pymbar-4.2.0-pyha770c72_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pymbar-core-4.2.0-pyhd8ed1ab_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pyparsing-3.3.2-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pysocks-1.7.1-pyha55dd90_7.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pytest-9.1.1-pyhc364b38_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pytest-datadir-1.8.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pytest-regressions-2.11.0-pyhc455866_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pytest-rerunfailures-16.4-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/python-constraint-1.4.0-pyhff2d567_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/python-dateutil-2.9.0.post0-pyhe01879c_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/python-fastjsonschema-2.22.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/python-gil-3.13.15-h4df99d1_101.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/python-json-logger-4.1.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/python-tzdata-2026.3-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/python_abi-3.13-8_cp313.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pytorch-lightning-2.6.5-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/pytz-2026.3.post1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/referencing-0.37.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/reportlab-5.0.0-pyhc364b38_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/requests-2.34.2-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/rfc3339-validator-0.1.4-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/rfc3986-validator-0.1.1-pyh9f0ad1d_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/rfc3987-syntax-1.1.0-pyhe01879c_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/rich-15.0.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/rlpycairo-0.4.0-pyh6c17108_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/scikit-mol-0.6.1-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/seaborn-0.13.2-hd8ed1ab_3.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/seaborn-base-0.13.2-pyhd8ed1ab_3.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/send2trash-2.1.0-pyh5552912_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/setuptools-84.0.0-pyh332efcf_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/six-1.17.0-pyhe01879c_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/sniffio-1.3.1-pyhd8ed1ab_2.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/soupsieve-2.9.2-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/spectate-1.0.1-pyhd8ed1ab_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/spyrmsd-0.9.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/stack_data-0.6.3-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/sympy-1.14.0-pyh2585a3b_106.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/terminado-0.18.1-pyhc90fa1f_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.6.0-pyhecae5ae_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/tinycss2-1.4.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/tinydb-4.8.2-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/tomli-2.4.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/torchmetrics-1.9.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/tqdm-4.70.0-pyh8f84b5b_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/traitlets-5.16.1-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/typing-extensions-4.16.0-h69aa097_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/typing-inspection-0.4.3-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/typing_extensions-4.16.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/typing_utils-0.1.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/tzdata-2026c-h151e31d_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/uri-template-1.3.0-pyhd8ed1ab_1.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/urllib3-2.7.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/validators-0.35.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/wcwidth-0.8.2-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/webcolors-25.10.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/webencodings-0.5.1-pyhd8ed1ab_3.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/websocket-client-1.9.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/widgetsnbextension-4.0.15-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/xmltodict-1.0.2-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/zipp-4.1.0-pyhcf101f3_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/_openmp_mutex-4.5-7_kmp_llvm.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/ambertools-24.8-cuda_None_nompi_py313h1f28771_104.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/argon2-cffi-bindings-25.1.0-py313h6535dbc_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/arpack-3.9.1-nompi_h1f29f7c_102.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/atk-1.0-2.38.0-hd03087b_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/backports.zstd-1.6.0-py313h7208f8c_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.6-h7dd00d9_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/brotli-1.2.0-h7d5ae5b_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/brotli-bin-1.2.0-hc919400_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/brotli-python-1.2.0-py313hde1f3bb_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/bzip2-1.0.8-h4e30115_10.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/c-ares-1.34.8-h1a92334_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/c-blosc2-3.2.3-hf9886e1_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/cairo-1.18.4-he0f2337_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/cffi-1.17.1-py313hc845a76_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/cftime-1.6.5-py313hf5115c3_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/contourpy-1.3.3-py313h2af2deb_4.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/cyrus-sasl-2.1.28-hb961e35_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/debugpy-1.8.21-py313h1188861_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/eigen-abi-3.4.0.100-h485a483_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/epoxy-1.5.10-hc919400_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/fftw-3.3.11-nompi_haf1500d_100.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/flatbuffers-25.9.23-h9e8ef45_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/fmt-12.1.0-h99e4e11_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/fontconfig-2.18.3-h2b252f5_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/fonttools-4.63.0-py313h65a2061_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/freetype-2.14.3-hce30654_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/fribidi-1.0.16-h84a0fba_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/gdk-pixbuf-2.44.7-h4e57454_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/glib-tools-2.88.3-hd03a632_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/gmp-6.3.0-h7bae524_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/gmpy2-2.3.0-py313h8b87f87_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/graphite2-1.3.15-h784d473_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/graphviz-14.1.2-hec8c438_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/greenlet-3.5.5-py313h1188861_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/gsd-5.0.1-hfb0bdc6_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/gtk3-3.24.52-hc0f3e19_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/gts-0.7.6-he42f4ea_4.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/h5py-3.16.0-nompi_py313hc6ee213_102.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/harfbuzz-14.3.0-hce30654_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/hdf4-4.2.15-h2ee6834_7.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/hdf5-1.14.6-nompi_had3affe_110.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/hicolor-icon-theme-0.17-hce30654_3.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/icu-78.3-hc7cc350_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/jaxlib-0.10.2-cpu_py313hd8c01bf_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/jq-1.8.2-h1a92334_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/khronos-opencl-icd-loader-2024.10.24-h5505292_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/kiwisolver-1.5.0-py313h2af2deb_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/krb5-1.22.2-hfd3d5f3_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/lcms2-2.19.1-hdfa7624_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/lerc-4.2.0-h1eee2c3_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libabseil-20260107.1-cxx17_h2062a1b_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libaec-1.1.5-h8664d51_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libblas-3.11.0-9_h51639a9_openblas.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libboost-1.86.0-h0419b56_5.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libboost-python-1.86.0-py313h4847772_5.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libbrotlicommon-1.2.0-hc919400_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libbrotlidec-1.2.0-hc919400_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libbrotlienc-1.2.0-hc919400_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libcblas-3.11.0-9_hb0561ab_openblas.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libcurl-8.21.0-hf618e03_4.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libcxx-22.1.8-h55c6f16_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libdeflate-1.25-he7e0567_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libedit-3.1.20250104-pl5321hafb1f1b_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libev-4.33-h1a92334_3.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libexpat-2.8.1-hf6b4638_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libffi-3.7.0-hcf2aa1b_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libfreetype-2.14.3-hce30654_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libfreetype6-2.14.3-hdfa99f5_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgcc-16.1.0-h3cf6597_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgd-2.3.3-h05bcc79_12.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgfortran-16.1.0-h07b0088_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgfortran5-16.1.0-h32cdfcc_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libglib-2.88.3-ha531971_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgrpc-1.78.1-h3e3f78d_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libharfbuzz-14.3.0-h5a65909_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libharfbuzz-devel-14.3.0-h5a65909_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libiconv-1.18-h23cfdf5_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libintl-0.25.1-h493aca8_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libjpeg-turbo-3.2.0-h84a0fba_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/liblapack-3.11.0-9_hd9741b5_openblas.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/liblzma-5.8.3-h8088a28_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libmpdec-4.0.0-h84a0fba_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libnetcdf-4.10.1-nompi_h12274ac_201.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libnghttp2-1.68.1-h8f3e76b_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libntlm-1.8-h5505292_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libopenblas-0.3.34-openmp_he657e61_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libpng-1.6.58-h132b30e_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libpq-18.4-ha770aab_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libprotobuf-6.33.5-hb82ec63_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libpsl-0.23.1-h7a62e17_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libraqm-0.11.0-h45af499_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/librdkit-2025.09.6-h5803ea0_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libre2-11-2025.11.05-h4c27e2a_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/librsvg-2.62.3-he8aa2a2_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libsodium-1.0.22-h1a92334_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libsqlite-3.53.4-h1ae2325_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libssh2-1.11.1-h1590b86_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libtiff-4.7.2-h282da08_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libtorch-2.10.0-cpu_generic_h34f749e_5.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libuv-1.52.1-h1a92334_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libwebp-base-1.6.0-h202fb40_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxcb-1.17.0-hdb1d25a_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxml2-16-2.15.3-h5ef1a60_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxml2-2.15.3-h5654f7c_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxslt-1.1.43-hb2570ba_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libzip-1.11.2-h1336266_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libzlib-1.3.2-h8088a28_3.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/llvm-openmp-22.1.8-hc7d1edf_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/llvmlite-0.48.0-py313h466ddcb_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/lxml-6.1.1-py313h28ec6f0_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/lz4-c-1.10.0-h286801f_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/markupsafe-3.0.3-py313h65a2061_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/matplotlib-base-3.11.1-py313h43b7ab6_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/mdanalysis-2.10.0-py313h7d16b84_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/mdtraj-1.11.1-py313hea77555_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/ml_dtypes-0.5.4-np2py313hdc65ad0_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/mpc-1.4.0-h169892a_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/mpfr-4.2.2-h6bc93b0_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/msgpack-python-1.2.1-py313h80c1790_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/ncurses-6.6-he64c551_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/netcdf-fortran-4.6.3-nompi_h82d7a24_101.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/netcdf4-1.7.4-nompi_py311hb912870_109.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/numba-0.66.0-py313h56deecd_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/numexpr-2.14.2-py313h23850d5_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/numpy-2.4.6-py313hce9b930_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/ocl_icd_wrapper_apple-1.0.0-h27ca646_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/oniguruma-6.9.10-h1a92334_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/opencl-headers-2025.06.13-hf6b4638_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/openjpeg-2.5.4-hd9e9057_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/openldap-2.6.13-hf7f56bc_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/openmm-8.4.0-py313ha7a67b4_2_khronos.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/openssl-3.6.3-hd24854e_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/optree-0.19.1-py313h5c29297_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pandas-2.3.3-py313h7d16b84_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pango-1.58.2-hf80efc4_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/parmed-4.3.1-py313h7bddb08_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pcre2-10.47-h30297fc_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/perl-5.32.1-7_h4614cfb_perl5.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pillow-12.3.0-py313h45e5a15_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pixman-0.46.4-h784d473_3.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/psutil-7.1.3-py313h9734d34_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pthread-stubs-0.4-h84a0fba_1003.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pycairo-1.29.1-py313hb909e90_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pydantic-core-2.33.2-py313h212e517_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pygraphviz-1.14-py313hef38a24_3.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyobjc-core-11.0-py313hb6afeec_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyobjc-framework-cocoa-11.0-py313hb6afeec_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pytables-3.11.1-py313hffa1668_5.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/python-3.13.15-hf1cfe1e_101_cp313.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pytng-0.3.4-py313hf951d8b_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pytorch-2.10.0-cpu_generic_py313_ha93366a_5.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyyaml-6.0.3-py313h65a2061_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyzmq-27.1.0-py312h022ad19_3.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/qhull-2020.2-h420ef59_5.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/rdkit-2025.09.6-py313hd3dfd35_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/re2-2025.11.05-ha480c28_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/readline-8.3-h46df422_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/rpds-py-2026.6.3-py313hb9d2816_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/rustworkx-0.18.1-py310hf7b50e3_7.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/scikit-learn-1.9.0-np2py313h3b23316_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/scipy-1.18.0-py313h52f5312_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/sleef-3.9.0-hb028509_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/snappy-1.2.2-hada39a4_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/sqlalchemy-2.0.51-py313h12dd151_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/statsmodels-0.14.6-py313hc577518_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/tk-8.6.13-hd3d0363_3.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/tornado-6.5.8-py313h0997733_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libice-1.1.2-h5505292_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libsm-1.2.6-h5505292_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libx11-1.8.13-hf948f5a_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxau-1.0.12-h84a0fba_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxdmcp-1.1.5-h84a0fba_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxext-1.3.7-h84a0fba_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxt-1.3.1-h5505292_0.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/yaml-0.2.5-h925e9cb_3.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zeromq-4.3.5-h10816f8_11.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.3.2-h8088a28_3.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-ng-2.3.3-hed4e4f5_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zstandard-0.25.0-py313h9734d34_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zstd-1.5.7-hbf9d68e_6.conda +packages: +- conda: https://conda.anaconda.org/conda-forge/noarch/_python_abi3_support-1.0-hd8ed1ab_3.conda + sha256: 2a7204314663eeda5dec482a956f0e2eaf289bd5b9953eaaaad0e81aa64638f2 + md5: 3845f3d75991bae0fb90884662f4327c + depends: + - cpython + - python-gil + license: MIT + license_family: MIT + run_exports: {} + size: 8144 + timestamp: 1784221492234 +- conda: https://conda.anaconda.org/conda-forge/noarch/adjusttext-1.4.0-pyhd8ed1ab_1.conda + sha256: 5a5332632469b3a8babc1bdcbaccfd7c2a6ec248e46723d14a35e4cd2d684330 + md5: df55e3083c94093b641c6f18cdac34ca + depends: + - matplotlib-base + - numpy + - python >=3.10 + - scipy + license: MIT + license_family: MIT + run_exports: {} + size: 20064 + timestamp: 1781247372408 +- conda: https://conda.anaconda.org/conda-forge/noarch/adwaita-icon-theme-49.0-unix_0.conda + sha256: a362b4f5c96a0bf4def96be1a77317e2730af38915eb9bec85e2a92836501ed7 + md5: b3f0179590f3c0637b7eb5309898f79e + depends: + - __unix + - hicolor-icon-theme + - librsvg + license: LGPL-3.0-or-later OR CC-BY-SA-3.0 + license_family: LGPL + run_exports: {} + size: 631452 + timestamp: 1758743294412 +- conda: https://conda.anaconda.org/conda-forge/noarch/annotated-types-0.8.0-pyhd8ed1ab_0.conda + sha256: b8fcb994134d3918d1c64a9d62f4168ff85d5bfb89e698102fe4ed679fe0df24 + md5: 108c928d2a8551832dbc762b535e90bb + depends: + - python >=3.10 + - typing-extensions >=4.0.0 + license: MIT + license_family: MIT + run_exports: {} + size: 19461 + timestamp: 1784935220549 +- conda: https://conda.anaconda.org/conda-forge/noarch/anyio-4.14.2-pyhcf101f3_0.conda + sha256: e36998c5e860e26b22e5dbcd5726dd0c4eabad949c84d383cad8512757bbf6a1 + md5: fb568fbae6908ba86a090a85a089d11f + depends: + - exceptiongroup >=1.0.2 + - idna >=2.8 + - python >=3.10 + - typing_extensions >=4.5 + - python + constrains: + - trio >=0.32.0 + - uvloop >=0.22.1 + - winloop >=0.2.3 + license: MIT + license_family: MIT + run_exports: {} + size: 164465 + timestamp: 1783889660383 +- conda: https://conda.anaconda.org/conda-forge/noarch/appnope-0.1.4-pyhd8ed1ab_1.conda + sha256: 8f032b140ea4159806e4969a68b4a3c0a7cab1ad936eb958a2b5ffe5335e19bf + md5: 54898d0f524c9dee622d44bbb081a8ab + depends: + - python >=3.9 + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 10076 + timestamp: 1733332433806 +- conda: https://conda.anaconda.org/conda-forge/noarch/argon2-cffi-25.1.0-pyhd8ed1ab_0.conda + sha256: bea62005badcb98b1ae1796ec5d70ea0fc9539e7d59708ac4e7d41e2f4bb0bad + md5: 8ac12aff0860280ee0cff7fa2cf63f3b + depends: + - argon2-cffi-bindings + - python >=3.9 + - typing-extensions + constrains: + - argon2_cffi ==999 + license: MIT + license_family: MIT + run_exports: {} + size: 18715 + timestamp: 1749017288144 +- conda: https://conda.anaconda.org/conda-forge/noarch/arrow-1.4.0-pyhcf101f3_0.conda + sha256: 792da8131b1b53ff667bd6fc617ea9087b570305ccb9913deb36b8e12b3b5141 + md5: 85c4f19f377424eafc4ed7911b291642 + depends: + - python >=3.10 + - python-dateutil >=2.7.0 + - python-tzdata + - python + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 113854 + timestamp: 1760831179410 +- conda: https://conda.anaconda.org/conda-forge/noarch/asttokens-3.0.2-pyhd8ed1ab_0.conda + sha256: fbbd8ce60cbd5c16f3fe559eb644551f94285caff30985ea961ff851c1cf25ac + md5: 89d495168582cb00428dad699d149624 + depends: + - python >=3.10 + constrains: + - astroid >=2,<5 + license: Apache-2.0 + license_family: Apache + run_exports: {} + size: 34639 + timestamp: 1783975742052 +- conda: https://conda.anaconda.org/conda-forge/noarch/async-lru-2.3.0-pyhcf101f3_0.conda + sha256: ea8486637cfb89dc26dc9559921640cd1d5fd37e5e02c33d85c94572139f2efe + md5: b85e84cb64c762569cc1a760c2327e0a + depends: + - python >=3.10 + - typing_extensions >=4.0.0 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 22949 + timestamp: 1773926359134 +- conda: https://conda.anaconda.org/conda-forge/noarch/attrs-26.1.0-pyhcf101f3_0.conda + sha256: 1b6124230bb4e571b1b9401537ecff575b7b109cc3a21ee019f65e083b8399ab + md5: c6b0543676ecb1fb2d7643941fe375f2 + depends: + - python >=3.10 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 64927 + timestamp: 1773935801332 +- conda: https://conda.anaconda.org/conda-forge/noarch/babel-2.18.0-pyhcf101f3_1.conda + sha256: a14a9ad02101aab25570543a59c5193043b73dc311a25650134ed9e6cb691770 + md5: f1976ce927373500cc19d3c0b2c85177 + depends: + - python >=3.10 + - python + constrains: + - pytz >=2015.7 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 7684321 + timestamp: 1772555330347 +- conda: https://conda.anaconda.org/conda-forge/noarch/beautifulsoup4-4.15.0-pyha770c72_0.conda + sha256: aed4b9dcf68ec2a75e5645fed14d77fd884d38d2e52bfa6ef4b278d90cd88781 + md5: 3b261da3fe9b4168738712832410b022 + depends: + - python >=3.10 + - soupsieve >=1.2 + - typing-extensions + license: MIT + license_family: MIT + run_exports: {} + size: 92704 + timestamp: 1780853175566 +- conda: https://conda.anaconda.org/conda-forge/noarch/bleach-6.4.0-pyhcf101f3_0.conda + sha256: 0c786f3e571bd58ac73d730d06314716663884d848ae320de0b438fae5e0bea9 + md5: 93009c29cdd6f2500468f2502fff9209 + depends: + - python >=3.10 + - webencodings + - python + constrains: + - tinycss2 >=1.1.0,<1.5 + license: Apache-2.0 AND MIT + run_exports: {} + size: 142246 + timestamp: 1780675823953 +- conda: https://conda.anaconda.org/conda-forge/noarch/bleach-with-css-6.4.0-hac0b51c_0.conda + sha256: ede77e412304cd080e23967352a7904932207d0167ecdccd6a9e210530942be6 + md5: 5f710eab1f3c4e773c75686f5e8e6481 + depends: + - bleach ==6.4.0 pyhcf101f3_0 + - tinycss2 + license: Apache-2.0 AND MIT + run_exports: {} + size: 4406 + timestamp: 1780675823953 +- conda: https://conda.anaconda.org/conda-forge/noarch/bson-0.5.10-pyhd8ed1ab_0.conda + sha256: b6e73522a3fc2d85e8eef363ff9dfe1d7995770b55968dc7e9e23ebd02f56e84 + md5: 8e1cd1dca850168941e200bc5e626e16 + depends: + - python >=3.9 + - python-dateutil >=2.4.0 + - six + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 16836 + timestamp: 1736456262819 +- conda: https://conda.anaconda.org/conda-forge/noarch/ca-certificates-2026.7.22-hbd8a1cb_0.conda + sha256: 0a0544cf95f64394fe4959286f5c71f5444ad58feb0602e53becb27448d24da6 + md5: 0f51e2391ade309db462a55611263e9c + depends: + - __unix + license: ISC + run_exports: {} + size: 131780 + timestamp: 1784754889428 +- conda: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_2.conda + noarch: python + sha256: 0d00dd61cb91b1bd1536600c64c9db4f94f3c699fec42864d0a2f4bc2ad8c3e8 + md5: 1990eb3f49022846fbc7fc9624a0ee43 + depends: + - cached_property >=1.5.2,<1.5.3.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 6836 + timestamp: 1783242914545 +- conda: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_2.conda + sha256: b1808a7811b5688d045b204425bb7ee824b340b40025b4ad0a39b4db1f4f1c98 + md5: f71e6840332854fd2eac6c3229768a9c + depends: + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 14752 + timestamp: 1783242913845 +- conda: https://conda.anaconda.org/conda-forge/noarch/cachetools-7.1.7-pyhd8ed1ab_0.conda + sha256: 7beb7215ebbea0a6ad16643a32844733301d1d86546d417ba45220768c1ce561 + md5: 2989a79976be82aca908b23523bef9bb + depends: + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 21764 + timestamp: 1785640081942 +- conda: https://conda.anaconda.org/conda-forge/noarch/certifi-2026.7.22-pyhd8ed1ab_0.conda + sha256: fb167de4388e64e52aa3907ed099afab944c1fa6e5f74b281a312dae1bcf7f3b + md5: 37e13edbe3b48f1095a9d085ef9cd83b + depends: + - python >=3.10 + license: ISC + run_exports: {} + size: 137015 + timestamp: 1784717699092 +- conda: https://conda.anaconda.org/conda-forge/noarch/charset-normalizer-3.4.9-pyhd8ed1ab_0.conda + sha256: 8d8813ef655b4e75e4fb897abd83ad548882efad7b4e836b021b797f42780799 + md5: d154b40b109e503430979e8a8d099eaf + depends: + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 61418 + timestamp: 1783505332569 +- conda: https://conda.anaconda.org/conda-forge/noarch/cinnabar-0.6.1-pyhc364b38_0.conda + sha256: 3c28c9bde4b171f7ab83375116827222d232db6c2ead85af33cef41742216eef + md5: 34760f86b6c610313655d3709508af80 + depends: + - adjusttext + - matplotlib-base + - networkx + - numpy + - openff-units + - plotly + - python >=3.10 + - scikit-learn + - seaborn + - python + license: MIT + license_family: MIT + run_exports: {} + size: 71407 + timestamp: 1785160961268 +- conda: https://conda.anaconda.org/conda-forge/noarch/click-8.4.2-pyhc90fa1f_0.conda + sha256: ccc4787f511964f9a1f2d2d2859c91c5d571fb60f7f09d4c4e092c9b7a94e671 + md5: 2c4bd6aeb90bb157456841c3270a0d92 + depends: + - __unix + - python + - python >=3.10 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 107155 + timestamp: 1783085363526 +- conda: https://conda.anaconda.org/conda-forge/noarch/click-option-group-0.5.9-pyhcf101f3_0.conda + sha256: a7918b2c9086f859c5d6572b4c463ad3e39ce50f47dd6f40c6a718eb4bd472ea + md5: d64dbb12cae6d209b7bd0587eaae3541 + depends: + - python >=3.10 + - click >=7.0 + - python + license: BSD-3-Clause + run_exports: {} + size: 21417 + timestamp: 1786454456342 +- conda: https://conda.anaconda.org/conda-forge/noarch/colorama-0.4.6-pyhd8ed1ab_1.conda + sha256: ab29d57dc70786c1269633ba3dff20288b81664d3ff8d21af995742e2bb03287 + md5: 962b9857ee8e7018c22f2776ffa0b2d7 + depends: + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 27011 + timestamp: 1733218222191 +- conda: https://conda.anaconda.org/conda-forge/noarch/comm-0.2.3-pyhe01879c_0.conda + sha256: 576a44729314ad9e4e5ebe055fbf48beb8116b60e58f9070278985b2b634f212 + md5: 2da13f2b299d8e1995bafbbe9689a2f7 + depends: + - python >=3.9 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 14690 + timestamp: 1753453984907 +- conda: https://conda.anaconda.org/conda-forge/noarch/cpython-3.13.15-py313hd8ed1ab_101.conda + noarch: generic + sha256: 1015448e0fb319fa8bb23148dd6ea34181cbcdc8f1880df61626db1999533a99 + md5: 128ab71e26d605b5d93e058dc7d563cc + depends: + - python >=3.13,<3.14.0a0 + - python_abi * *_cp313 + license: Python-2.0 + run_exports: {} + size: 48329 + timestamp: 1786366745175 +- conda: https://conda.anaconda.org/conda-forge/noarch/cycler-0.12.1-pyhcf101f3_2.conda + sha256: bb47aec5338695ff8efbddbc669064a3b10fe34ad881fb8ad5d64fbfa6910ed1 + md5: 4c2a8fef270f6c69591889b93f9f55c1 + depends: + - python >=3.10 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 14778 + timestamp: 1764466758386 +- conda: https://conda.anaconda.org/conda-forge/noarch/defusedxml-0.7.1-pyhd8ed1ab_0.tar.bz2 + sha256: 9717a059677553562a8f38ff07f3b9f61727bd614f505658b0a5ecbcf8df89be + md5: 961b3a227b437d82ad7054484cfa71b2 + depends: + - python >=3.6 + license: PSF-2.0 + license_family: PSF + run_exports: {} + size: 24062 + timestamp: 1615232388757 +- conda: https://conda.anaconda.org/conda-forge/noarch/dill-0.4.1-pyhcf101f3_0.conda + sha256: 1ef84c0cc4efd0c2d58c3cb365945edbd9ee42a1c54514d1ccba4b641005f757 + md5: 080a808fce955026bf82107d955d32da + depends: + - python >=3.10 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 95462 + timestamp: 1768863743943 +- conda: https://conda.anaconda.org/conda-forge/noarch/exceptiongroup-1.3.1-pyhd8ed1ab_0.conda + sha256: ee6cf346d017d954255bbcbdb424cddea4d14e4ed7e9813e429db1d795d01144 + md5: 8e662bd460bda79b1ea39194e3c4c9ab + depends: + - python >=3.10 + - typing_extensions >=4.6.0 + license: MIT and PSF-2.0 + run_exports: {} + size: 21333 + timestamp: 1763918099466 +- conda: https://conda.anaconda.org/conda-forge/noarch/executing-2.2.1-pyhd8ed1ab_0.conda + sha256: 210c8165a58fdbf16e626aac93cc4c14dbd551a01d1516be5ecad795d2422cad + md5: ff9efb7f7469aed3c4a8106ffa29593c + depends: + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 30753 + timestamp: 1756729456476 +- conda: https://conda.anaconda.org/conda-forge/noarch/filelock-3.32.2-pyhd8ed1ab_0.conda + sha256: 5476fe77cc2f59389dd348135462892dc20f42114301221648df90a6e9650186 + md5: 977e2b00d5329b6d56ebe94ae1f4b67c + depends: + - python >=3.10 + license: Unlicense + run_exports: {} + size: 77939 + timestamp: 1785376409053 +- conda: https://conda.anaconda.org/conda-forge/noarch/flexcache-0.3-pyhd8ed1ab_1.conda + sha256: acdb7b73d84268773fcc8192965994554411edc488ec3447925a62154e9d3baa + md5: f1e618f2f783427019071b14a111b30d + depends: + - python >=3.9 + - typing-extensions + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 16674 + timestamp: 1733663669958 +- conda: https://conda.anaconda.org/conda-forge/noarch/flexparser-0.4-pyhd8ed1ab_1.conda + sha256: 9bdad0cd9fb6d67e48798c03930d634ea2d33a894d30439d3d7bdffd3c21af7b + md5: 6dc4e43174cd552452fdb8c423e90e69 + depends: + - python >=3.9 + - typing-extensions + - typing_extensions + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 28686 + timestamp: 1733663636245 +- conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-dejavu-sans-mono-2.37-hab24e00_0.tar.bz2 + sha256: 58d7f40d2940dd0a8aa28651239adbf5613254df0f75789919c4e6762054403b + md5: 0c96522c6bdaed4b1566d11387caaf45 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 397370 + timestamp: 1566932522327 +- conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-inconsolata-3.000-h77eed37_0.tar.bz2 + sha256: c52a29fdac682c20d252facc50f01e7c2e7ceac52aa9817aaf0bb83f7559ec5c + md5: 34893075a5c9e55cdafac56607368fc6 + license: OFL-1.1 + license_family: Other + run_exports: {} + size: 96530 + timestamp: 1620479909603 +- conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-source-code-pro-2.038-h77eed37_0.tar.bz2 + sha256: 00925c8c055a2275614b4d983e1df637245e19058d79fc7dd1a93b8d9fb4b139 + md5: 4d59c254e01d9cde7957100457e2d5fb + license: OFL-1.1 + license_family: Other + run_exports: {} + size: 700814 + timestamp: 1620479612257 +- conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_3.conda + sha256: 2821ec1dc454bd8b9a31d0ed22a7ce22422c0aef163c59f49dfdf915d0f0ca14 + md5: 49023d73832ef61042f6a237cb2687e7 + license: LicenseRef-Ubuntu-Font-Licence-Version-1.0 + license_family: Other + run_exports: {} + size: 1620504 + timestamp: 1727511233259 +- conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-ecosystem-1-0.tar.bz2 + sha256: a997f2f1921bb9c9d76e6fa2f6b408b7fa549edd349a77639c9fe7a23ea93e61 + md5: fee5683a3f04bd15cbd8318b096a27ab + depends: + - fonts-conda-forge + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 3667 + timestamp: 1566974674465 +- conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-hc364b38_1.conda + sha256: 54eea8469786bc2291cc40bca5f46438d3e062a399e8f53f013b6a9f50e98333 + md5: a7970cd949a077b7cb9696379d338681 + depends: + - font-ttf-ubuntu + - font-ttf-inconsolata + - font-ttf-dejavu-sans-mono + - font-ttf-source-code-pro + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 4059 + timestamp: 1762351264405 +- conda: https://conda.anaconda.org/conda-forge/noarch/fqdn-1.5.1-pyhd8ed1ab_1.conda + sha256: 2509992ec2fd38ab27c7cdb42cf6cadc566a1cc0d1021a2673475d9fa87c6276 + md5: d3549fd50d450b6d9e7dddff25dd2110 + depends: + - cached-property >=1.3.0 + - python >=3.9,<4 + license: MPL-2.0 + license_family: MOZILLA + run_exports: {} + size: 16705 + timestamp: 1733327494780 +- conda: https://conda.anaconda.org/conda-forge/noarch/freetype-py-2.3.0-pyhd8ed1ab_0.tar.bz2 + sha256: bfa5ddb943992643a2ee2e258507beac2bdb17825e74d05f1bb0b79bb2c924fc + md5: e4a165cdbbaed5bbb6e653b823156151 + depends: + - freetype + - python >=3.7 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 58932 + timestamp: 1650983451848 +- conda: https://conda.anaconda.org/conda-forge/noarch/fsspec-2026.7.0-pyhd8ed1ab_0.conda + sha256: 3cd1c985695d8114bdba2a4a38c87e86d633fadd7cfe7a6733ebb3fe807fdc86 + md5: b9176565976c773a0739bd83deaf06cc + depends: + - python >=3.10 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 151868 + timestamp: 1785325238671 +- conda: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.2.0-pyhd8ed1ab_0.conda + sha256: 1fe2509016fdee9004e4b1132e0c4af1592940ddc1e51ec11b1aa66d828c4e91 + md5: a45eb4f68807937d07852cb3ddbb3d52 + depends: + - mrcfile + - numpy >=1.21 + - python >=3.11 + - scipy + license: LGPL-3.0-or-later + license_family: LGPL + run_exports: {} + size: 5607033 + timestamp: 1779510093191 +- conda: https://conda.anaconda.org/conda-forge/noarch/gufe-1.12.0-pyhc364b38_3.conda + sha256: bdcf9a753679f4e073b45601fcf58a4adca3526b96cac33212c87e483b9d109d + md5: 1c411456545d367b592ba0e8543d3ba5 + depends: + - msgpack-python + - networkx + - numpy + - openff-toolkit-base >=0.15.1 + - openff-units >=0.3.1 + - openmm + - pint + - pip + - pooch >=1.9.0 + - pydantic >=2.0,<2.12 + - python >=3.11 + - rdkit >=2024.9.1 + - typing-extensions + - zstandard + - python + license: MIT + license_family: MIT + run_exports: {} + size: 1904280 + timestamp: 1782881457012 +- conda: https://conda.anaconda.org/conda-forge/noarch/h11-0.16.0-pyhcf101f3_1.conda + sha256: 96cac6573fd35ae151f4d6979bab6fbc90cb6b1fb99054ba19eb075da9822fcb + md5: b8993c19b0c32a2f7b66cbb58ca27069 + depends: + - python >=3.10 + - typing_extensions + - python + license: MIT + license_family: MIT + run_exports: {} + size: 39069 + timestamp: 1767729720872 +- conda: https://conda.anaconda.org/conda-forge/noarch/h2-4.4.1-pyhcf101f3_0.conda + sha256: 307dd6ec90140c3cf4171071b0e5e870abec314f4565c1edd5bc433e942cdcc0 + md5: e652ac7756069c456d0da2a922cd7df5 + depends: + - python >=3.10 + - hyperframe >=6.1,<7 + - hpack >=4.2,<5 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 100789 + timestamp: 1785796355216 +- conda: https://conda.anaconda.org/conda-forge/noarch/hpack-4.2.0-pyhd8ed1ab_0.conda + sha256: fdcea5d7cb314485d3907192ef024c704311548c5b0cbeb390cd1951051e29d2 + md5: b395909221b9bd1df066e5930e18855b + depends: + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 32884 + timestamp: 1782283986153 +- conda: https://conda.anaconda.org/conda-forge/noarch/httpcore-1.0.9-pyh29332c3_0.conda + sha256: 04d49cb3c42714ce533a8553986e1642d0549a05dc5cc48e0d43ff5be6679a5b + md5: 4f14640d58e2cc0aa0819d9d8ba125bb + depends: + - python >=3.9 + - h11 >=0.16 + - h2 >=3,<5 + - sniffio 1.* + - anyio >=4.0,<5.0 + - certifi + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 49483 + timestamp: 1745602916758 +- conda: https://conda.anaconda.org/conda-forge/noarch/httpx-0.28.1-pyhd8ed1ab_0.conda + sha256: cd0f1de3697b252df95f98383e9edb1d00386bfdd03fdf607fa42fe5fcb09950 + md5: d6989ead454181f4f9bc987d3dc4e285 + depends: + - anyio + - certifi + - httpcore 1.* + - idna + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 63082 + timestamp: 1733663449209 +- conda: https://conda.anaconda.org/conda-forge/noarch/hyperframe-6.1.0-pyhd8ed1ab_0.conda + sha256: 77af6f5fe8b62ca07d09ac60127a30d9069fdc3c68d6b256754d0ffb1f7779f8 + md5: 8e6923fc12f1fe8f8c4e5c9f343256ac + depends: + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 17397 + timestamp: 1737618427549 +- conda: https://conda.anaconda.org/conda-forge/noarch/idna-3.18-pyhcf101f3_0.conda + sha256: c75632ea624aa450a394f570749420c5a2e0997d0216bc29d5d45b0f39df0426 + md5: 577b04680ae422adb86fc60d7b940659 + depends: + - python >=3.10 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 163869 + timestamp: 1781620148226 +- conda: https://conda.anaconda.org/conda-forge/noarch/importlib-metadata-9.0.0-pyhcf101f3_0.conda + sha256: 43e2a5497cad1598ff88a3e69f69bc88b7b8f141fa63c60eab5db296317318b8 + md5: ffc17e785d64e12fc311af9184221839 + depends: + - python >=3.10 + - zipp >=3.20 + - python + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 34766 + timestamp: 1779714582554 +- conda: https://conda.anaconda.org/conda-forge/noarch/importlib_resources-7.1.0-pyhd8ed1ab_0.conda + sha256: a563a51aa522998172838e867e6dedcf630bc45796e8612f5a1f6d73e9c8125a + md5: 0ba6225c279baf7ea9473a62ea0ec9ae + depends: + - python >=3.10 + - zipp >=3.1.0 + constrains: + - importlib-resources >=7.1.0,<7.1.1.0a0 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 34809 + timestamp: 1776068839274 +- conda: https://conda.anaconda.org/conda-forge/noarch/iniconfig-2.3.0-pyhd8ed1ab_0.conda + sha256: e1a9e3b1c8fe62dc3932a616c284b5d8cbe3124bbfbedcf4ce5c828cb166ee19 + md5: 9614359868482abba1bd15ce465e3c42 + depends: + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 13387 + timestamp: 1760831448842 +- conda: https://conda.anaconda.org/conda-forge/noarch/ipycytoscape-1.3.3-pyhd8ed1ab_1.tar.bz2 + sha256: f005438f3cbec00bad44504fe7ef04f198282c284d49839c934130547949e7b2 + md5: e06e117809798ba07e052b84e1475e31 + depends: + - ipywidgets >=7.6.0 + - python >=3.7 + - spectate + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 3075874 + timestamp: 1662990191967 +- conda: https://conda.anaconda.org/conda-forge/noarch/ipykernel-7.3.0-pyh01cf8df_0.conda + sha256: 994d3cb6b9b88a6533f567c50d20f2f6edc40ae3540ce2ee9629492182ab3403 + md5: a1ddab91145f7f06eee769d2f3ac69cd + depends: + - appnope + - __osx + - comm >=0.1.1 + - debugpy >=1.6.5 + - ipython >=7.23.1 + - jupyter_client >=8.9.0 + - jupyter_core >=5.1,!=6.0.* + - matplotlib-inline >=0.1 + - nest-asyncio2 >=1.7.0 + - packaging >=22 + - psutil >=5.7 + - python >=3.10 + - pyzmq >=25 + - tornado >=6.4.1 + - traitlets >=5.4.0 + - python + constrains: + - appnope >=0.1.2 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 137725 + timestamp: 1781101860049 +- conda: https://conda.anaconda.org/conda-forge/noarch/ipython-9.16.1-pyh53cf698_0.conda + sha256: 8470648b5e790d1881c09c02068d53e1bf0126f020db02a6dc2e73400cf1eeeb + md5: 23564ed27c9c7714905be96ac5786500 + depends: + - __unix + - ipython_pygments_lexers >=1.0.0 + - jedi >=0.18.2 + - matplotlib-inline >=0.1.6 + - prompt-toolkit >=3.0.41,<3.1.0 + - psutil >=7 + - pygments >=2.14.0 + - python >=3.11 + - stack_data >=0.6.0 + - traitlets >=5.13.0 + - typing_extensions >=4.6 + - pexpect >4.6 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 716078 + timestamp: 1785754203352 +- conda: https://conda.anaconda.org/conda-forge/noarch/ipython_pygments_lexers-1.1.1-pyhd8ed1ab_0.conda + sha256: 894682a42a7d659ae12878dbcb274516a7031bbea9104e92f8e88c1f2765a104 + md5: bd80ba060603cc228d9d81c257093119 + depends: + - pygments + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 13993 + timestamp: 1737123723464 +- conda: https://conda.anaconda.org/conda-forge/noarch/ipywidgets-8.1.8-pyhd8ed1ab_0.conda + sha256: 6bb58afb7eabc8b4ac0c7e92707fb498313cc0164cf04e7ba1090dbf49af514b + md5: d68e3f70d1f068f1b66d94822fdc644e + depends: + - comm >=0.1.3 + - ipython >=6.1.0 + - jupyterlab_widgets >=3.0.15,<3.1.0 + - python >=3.10 + - traitlets >=4.3.1 + - widgetsnbextension >=4.0.14,<4.1.0 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 114376 + timestamp: 1762040524661 +- conda: https://conda.anaconda.org/conda-forge/noarch/isoduration-20.11.0-pyhd8ed1ab_1.conda + sha256: 08e838d29c134a7684bca0468401d26840f41c92267c4126d7b43a6b533b0aed + md5: 0b0154421989637d424ccf0f104be51a + depends: + - arrow >=0.15.0 + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 19832 + timestamp: 1733493720346 +- conda: https://conda.anaconda.org/conda-forge/noarch/jax-0.10.2-pyhd8ed1ab_0.conda + sha256: c63764f3f6aaa7bdd2f4b3bc1c297f946ae7e5503d0d3a4ca225ba4dff3fc25b + md5: dea656ff872c2705d20d69adc8d44fc3 + depends: + - importlib-metadata >=4.6 + - jaxlib >=0.10.1,<=0.10.2 + - ml_dtypes >=0.5.0 + - numpy >=2.0 + - opt_einsum + - python >=3.11 + - scipy >=1.14 + constrains: + - cudnn >=9.8,<10.0 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 2129277 + timestamp: 1781775700801 +- conda: https://conda.anaconda.org/conda-forge/noarch/jedi-0.20.0-pyhcf101f3_0.conda + sha256: 744143551c1c7b528b82533fb641b9d7db20b2203abc4c2635c387fa6c089fc3 + md5: c2b3d37aa1411031126036ee76a8a861 + depends: + - python >=3.10 + - parso >=0.8.6,<0.9.0 + - python + license: Apache-2.0 AND MIT + run_exports: {} + size: 2715215 + timestamp: 1782251948616 +- conda: https://conda.anaconda.org/conda-forge/noarch/jinja2-3.1.6-pyhcf101f3_1.conda + sha256: fc9ca7348a4f25fed2079f2153ecdcf5f9cf2a0bc36c4172420ca09e1849df7b + md5: 04558c96691bed63104678757beb4f8d + depends: + - markupsafe >=2.0 + - python >=3.10 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 120685 + timestamp: 1764517220861 +- conda: https://conda.anaconda.org/conda-forge/noarch/joblib-1.5.3-pyhd8ed1ab_0.conda + sha256: 301539229d7be6420c084490b8145583291123f0ce6b92f56be5948a2c83a379 + md5: 615de2a4d97af50c350e5cf160149e77 + depends: + - python >=3.10 + - setuptools + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 226448 + timestamp: 1765794135253 +- conda: https://conda.anaconda.org/conda-forge/noarch/json5-0.15.0-pyhd8ed1ab_0.conda + sha256: 637400a4174880463985c7a5b6e3e0bea0aa9d0892a6c06a3a8aa2cf1208c35a + md5: 761a4a6b9cba303c66a97ca642447171 + depends: + - python >=3.10 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 39373 + timestamp: 1781926894833 +- conda: https://conda.anaconda.org/conda-forge/noarch/jsonpointer-3.1.1-pyhcf101f3_0.conda + sha256: a3d10301b6ff399ba1f3d39e443664804a3d28315a4fb81e745b6817845f70ae + md5: 89bf346df77603055d3c8fe5811691e6 + depends: + - python >=3.10 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 14190 + timestamp: 1774311356147 +- conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-4.26.0-pyhcf101f3_0.conda + sha256: db973a37d75db8e19b5f44bbbdaead0c68dde745407f281e2a7fe4db74ec51d7 + md5: ada41c863af263cc4c5fcbaff7c3e4dc + depends: + - attrs >=22.2.0 + - jsonschema-specifications >=2023.3.6 + - python >=3.10 + - referencing >=0.28.4 + - rpds-py >=0.25.0 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 82356 + timestamp: 1767839954256 +- conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-specifications-2025.9.1-pyhcf101f3_0.conda + sha256: 0a4f3b132f0faca10c89fdf3b60e15abb62ded6fa80aebfc007d05965192aa04 + md5: 439cd0f567d697b20a8f45cb70a1005a + depends: + - python >=3.10 + - referencing >=0.31.0 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 19236 + timestamp: 1757335715225 +- conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-with-format-nongpl-4.26.0-hcf101f3_0.conda + sha256: 6886fc61e4e4edd38fd38729976b134e8bd2143f7fce56cc80d7ac7bac99bce1 + md5: 8368d58342d0825f0843dc6acdd0c483 + depends: + - jsonschema >=4.26.0,<4.26.1.0a0 + - fqdn + - idna + - isoduration + - jsonpointer >1.13 + - rfc3339-validator + - rfc3986-validator >0.1.0 + - rfc3987-syntax >=1.1.0 + - uri-template + - webcolors >=24.6.0 + license: MIT + license_family: MIT + run_exports: {} + size: 4740 + timestamp: 1767839954258 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyter-builder-1.2.2-pyhcf101f3_0.conda + sha256: 46777dd25ae623f960ec9ed9eae44cc7f96f371f3bc96f85d3ebf95737bd4e88 + md5: 9672806e67ea8b09a61408597a418e20 + depends: + - jupyter_core + - python >=3.10 + - tomli + - traitlets + - python + constrains: + - nodejs >=22 + license: BSD-3-Clause AND MIT AND ISC + run_exports: {} + size: 862197 + timestamp: 1786385602872 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyter-lsp-2.3.1-pyhcf101f3_0.conda + sha256: 3766e2ae59641c172cec8a821528bfa6bf9543ffaaeb8b358bfd5259dcf18e4e + md5: 0c3b465ceee138b9c39279cc02e5c4a0 + depends: + - importlib-metadata >=4.8.3 + - jupyter_server >=1.1.2 + - python >=3.10 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 61633 + timestamp: 1775136333147 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_client-8.9.1-pyhcf101f3_0.conda + sha256: 48b18974cc93b2c0d2681563237034e521f51d1878f0bbc6a5a67ca31b1608a6 + md5: 49440e66df843bee2273937e8032ec43 + depends: + - jupyter_core >=5.1 + - python >=3.10 + - python-dateutil >=2.8.2 + - pyzmq >=25.0 + - tornado >=6.4.1 + - traitlets >=5.3 + - typing_extensions >=4.13.0 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 117954 + timestamp: 1781019994076 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_core-5.9.1-pyhc90fa1f_0.conda + sha256: 1d34b80e5bfcd5323f104dbf99a2aafc0e5d823019d626d0dce5d3d356a2a52a + md5: b38fe4e78ee75def7e599843ef4c1ab0 + depends: + - __unix + - python + - platformdirs >=2.5 + - python >=3.10 + - traitlets >=5.3 + - python + constrains: + - pywin32 >=300 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 65503 + timestamp: 1760643864586 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_events-0.12.1-pyhcf101f3_0.conda + sha256: c7edb5682c6316a95ad781dccb1b6589cd2ec0bf94f23c21152974eb0363b5d7 + md5: bf42ee94c750c0b2e7e998b79ac299ea + depends: + - jsonschema-with-format-nongpl >=4.18.0 + - packaging + - python >=3.10 + - python-json-logger >=2.0.4 + - pyyaml >=5.3 + - referencing + - rfc3339-validator + - rfc3986-validator >=0.1.1 + - traitlets >=5.3 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 24002 + timestamp: 1776861872237 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server-2.20.0-pyhcf101f3_0.conda + sha256: 3e8759fdc404f149e7e722e0af472044a0ef9e70d0a3a7690ddcfe1232a0e868 + md5: b2ddb0e13b5600070c4019c4db8a78e6 + depends: + - anyio >=3.1.0 + - argon2-cffi >=21.1 + - jinja2 >=3.0.3 + - jupyter_client >=7.4.4 + - jupyter_core >=4.12,!=5.0.* + - jupyter_events >=0.11.0 + - jupyter_server_terminals >=0.4.4 + - nbconvert-core >=6.4.4 + - nbformat >=5.3.0 + - overrides >=5.0 + - packaging >=22.0 + - prometheus_client >=0.9 + - python >=3.10 + - pyzmq >=24 + - send2trash >=1.8.2 + - terminado >=0.8.3 + - tornado >=6.2.0 + - traitlets >=5.6.0 + - websocket-client >=1.7 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 363068 + timestamp: 1781713810089 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server_terminals-0.5.4-pyhcf101f3_0.conda + sha256: 5eda79ed9f53f590031d29346abd183051263227dd9ee667b5ca1133ce297654 + md5: 7b8bace4943e0dc345fc45938826f2b8 + depends: + - python >=3.10 + - terminado >=0.8.3 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 22052 + timestamp: 1768574057200 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab-4.6.3-pyhd8ed1ab_0.conda + sha256: dabfff705b000188a9f67c9af68bb607cdb2e46fd7c6283307a502994c2af46f + md5: e5527f195a1a1925b9207e9d47752480 + depends: + - async-lru >=1.0.0 + - httpx >=0.25.0,<1 + - ipykernel >=6.5.0,!=6.30.0 + - jinja2 >=3.0.3 + - jupyter-builder >=1.0.2 + - jupyter-lsp >=2.0.0 + - jupyter_core + - jupyter_server >=2.19.0,<3 + - jupyterlab_server >=2.28.0,<3 + - notebook-shim >=0.2 + - packaging >=23.2 + - python >=3.10 + - tomli >=1.2.2 + - tornado >=6.2.0 + - traitlets + - typing_extensions >=4.4.0 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 13178193 + timestamp: 1786398793317 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_pygments-0.3.0-pyhd8ed1ab_2.conda + sha256: dc24b900742fdaf1e077d9a3458fd865711de80bca95fe3c6d46610c532c6ef0 + md5: fd312693df06da3578383232528c468d + depends: + - pygments >=2.4.1,<3 + - python >=3.9 + constrains: + - jupyterlab >=4.0.8,<5.0.0 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 18711 + timestamp: 1733328194037 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_server-2.28.0-pyhcf101f3_0.conda + sha256: 381d2d6a259a3be5f38a69463e0f6c5dcf1844ae113058007b51c3bef13a7cee + md5: a63877cb23de826b1620d3adfccc4014 + depends: + - babel >=2.10 + - jinja2 >=3.0.3 + - json5 >=0.9.0 + - jsonschema >=4.18 + - jupyter_server >=1.21,<3 + - packaging >=21.3 + - python >=3.10 + - requests >=2.31 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 51621 + timestamp: 1761145478692 +- conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_widgets-3.0.16-pyhcf101f3_1.conda + sha256: 5c03de243d7ae6247f39a402f4785d95e61c3be79ef18738e8f17155585d31a8 + md5: dbf8b81974504fa51d34e436ca7ef389 + depends: + - python >=3.10 + - python + constrains: + - jupyterlab >=3,<5 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 216779 + timestamp: 1762267481404 +- conda: https://conda.anaconda.org/conda-forge/noarch/kartograf-2.0.0-pyhc364b38_1.conda + sha256: 81140326de1800aebbc860da7bc2f3d1379fa59e2188f021009f9724506df190 + md5: 6983b73d582d81c1018152c2797c5629 + depends: + - dill + - gufe >=1.11 + - numpy + - python >=3.11 + - rdkit + - scipy + - python + license: MIT + license_family: MIT + run_exports: {} + size: 329439 + timestamp: 1782231678666 +- conda: https://conda.anaconda.org/conda-forge/noarch/konnektor-0.4.0-pyhc364b38_0.conda + sha256: c88ac1c992684fa3282537450bc3941a52669beadb35fdc24c43eb7efff19562 + md5: c7e4defef29d3a5d72cf070dc08e44cf + depends: + - python >=3.10 + - gufe >=1,<2 + - numpy + - rdkit + - networkx + - scikit-mol >=0.5.5 + - scikit-learn + - tqdm + - ipycytoscape + - python + license: MIT + license_family: MIT + run_exports: {} + size: 122579 + timestamp: 1780607244860 +- conda: https://conda.anaconda.org/conda-forge/noarch/lark-1.3.1-pyhd8ed1ab_0.conda + sha256: 49570840fb15f5df5d4b4464db8ee43a6d643031a2bc70ef52120a52e3809699 + md5: 9b965c999135d43a3d0f7bd7d024e26a + depends: + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 94312 + timestamp: 1761596921009 +- conda: https://conda.anaconda.org/conda-forge/noarch/legacy-cgi-2.6.4-pyh742d864_0.conda + sha256: acc3fb5f377468bacc94181a7c4466f1e37754a08e4df31979614c7c6ea20888 + md5: 9d2a54ab80a5cc8138b8adb1e146ac20 + depends: + - python >=3.13,<4 + - python + license: PSF-2.0 + license_family: PSF + run_exports: {} + size: 31856 + timestamp: 1761574456615 +- conda: https://conda.anaconda.org/conda-forge/noarch/lightning-utilities-0.15.3-pyhd8ed1ab_0.conda + sha256: 97dcff433510cfb92f775f6c5da4e18d19ff70d8921187dae0725158946fb3e5 + md5: 237d294ca3acd678f590f1754e090802 + depends: + - packaging >=17.1 + - python >=3.10 + - setuptools + - typing_extensions + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 32379 + timestamp: 1772138325789 +- conda: https://conda.anaconda.org/conda-forge/noarch/lomap2-3.3.0-pyh49a906d_0.conda + sha256: 7a3eb10bc734e1a78077577b146bede804bed2208ea2f125988c8273a230133f + md5: cd10d0150d8199ed585acf930bd55797 + depends: + - gufe ~=1.0 + - lomap2-base ==3.3.0 pyhc364b38_0 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 9116 + timestamp: 1782157045365 +- conda: https://conda.anaconda.org/conda-forge/noarch/lomap2-base-3.3.0-pyhc364b38_0.conda + sha256: b27eb5c05a18968b8521ac6b401110e80a66c9a3a213906abf7ac76575e69dcc + md5: 5b5fe162f40a4fcc15d6c3937a80c4cf + depends: + - matplotlib-base + - networkx + - numpy + - python >=3.11 + - rdkit >=2024 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 162408 + timestamp: 1782157045365 +- conda: https://conda.anaconda.org/conda-forge/noarch/markdown-it-py-4.2.0-pyhd8ed1ab_0.conda + sha256: 0c4c35376fe920714390d46e4b8d31c876d65f18e1655899e0763ec25f2a902f + md5: 6d03368f2b2b0a5fb6839df53b2eb5e0 + depends: + - mdurl >=0.1,<1 + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 69017 + timestamp: 1778169663339 +- conda: https://conda.anaconda.org/conda-forge/noarch/matplotlib-inline-0.2.2-pyhd8ed1ab_0.conda + sha256: 35b43d7343f74452307fd018a1cca92b8f68961ff8e2ab6a81ce0a703c9a3764 + md5: 9acc1c385be401d533ff70ef5b50dae6 + depends: + - python >=3.10 + - traitlets + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 15725 + timestamp: 1778264403247 +- conda: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_1.conda + sha256: d35c53a76385e92ca2534af47372dc4116ab7be7c4f769e00c0876561d951395 + md5: 1d086e68846dadf85ee208c9459bc8bc + depends: + - python >=3.9 + license: PSF-2.0 + license_family: PSF + run_exports: {} + size: 16535 + timestamp: 1734100847370 +- conda: https://conda.anaconda.org/conda-forge/noarch/mdurl-0.1.2-pyhd8ed1ab_1.conda + sha256: 78c1bbe1723449c52b7a9df1af2ee5f005209f67e40b6e1d3c7619127c43b1c7 + md5: 592132998493b3ff25fd7479396e8351 + depends: + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 14465 + timestamp: 1733255681319 +- conda: https://conda.anaconda.org/conda-forge/noarch/mistune-3.3.4-pyhcf101f3_0.conda + sha256: 306af633cb4ac85d04024d7c243ac2031c488bf5b0912207e7304c27a5d65a85 + md5: 1c0ebec41ef9214160da1ee6a0880fce + depends: + - python >=3.10 + - typing_extensions + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 93811 + timestamp: 1784722859728 +- conda: https://conda.anaconda.org/conda-forge/noarch/mmtf-python-1.1.3-pyhd8ed1ab_0.tar.bz2 + sha256: be4a689665c1639eec71637dc4053d4c5d64a831de3120b4c77bf7f92ae05962 + md5: 2e68d973b43ff50b76ffe35f227bdc73 + depends: + - msgpack-python + - python >=3.6 + license: Apache-2.0 + license_family: Apache + run_exports: {} + size: 26040 + timestamp: 1657095365436 +- conda: https://conda.anaconda.org/conda-forge/noarch/mpiplus-v0.0.2-pyhd8ed1ab_0.conda + sha256: e676355de0ca294fd737488538df1ca400ef98504fcf09dfa929f27df1161a63 + md5: c03a337dc710c51d64c15db34247b6c4 + depends: + - numpy >=1.11 + - python >=3.6 + license: MIT + license_family: MIT + run_exports: {} + size: 17945 + timestamp: 1682694535226 +- conda: https://conda.anaconda.org/conda-forge/noarch/mpmath-1.3.0-pyhd8ed1ab_1.conda + sha256: 7d7aa3fcd6f42b76bd711182f3776a02bef09a68c5f117d66b712a6d81368692 + md5: 3585aa87c43ab15b167b574cd73b057b + depends: + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 439705 + timestamp: 1733302781386 +- conda: https://conda.anaconda.org/conda-forge/noarch/mrcfile-1.5.4-pyhd8ed1ab_0.conda + sha256: 465a9c6634811dcd2680d09820e66b589bef6015c34316f1b59684e2e0cd3df3 + md5: f7c1396aa66942e77cf544ba6945111d + depends: + - numpy >=1.16 + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 38885 + timestamp: 1737633966355 +- conda: https://conda.anaconda.org/conda-forge/noarch/munkres-1.1.4-pyhd8ed1ab_1.conda + sha256: d09c47c2cf456de5c09fa66d2c3c5035aa1fa228a1983a433c47b876aa16ce90 + md5: 37293a85a0f4f77bbd9cf7aaefc62609 + depends: + - python >=3.9 + license: Apache-2.0 + license_family: Apache + run_exports: {} + size: 15851 + timestamp: 1749895533014 +- conda: https://conda.anaconda.org/conda-forge/noarch/narwhals-2.24.0-pyhcf101f3_0.conda + sha256: 57f525a1c55b08c3204fab05d2c74a3e9c2172d7f08f1ecaa07e19865cc1d7cf + md5: 42ef6cbb3e1d0e6689b9dd160f560eae + depends: + - python >=3.10 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 289946 + timestamp: 1783943716915 +- conda: https://conda.anaconda.org/conda-forge/noarch/nbclient-0.11.0-pyhd8ed1ab_0.conda + sha256: eceb424236fbbb9b337a857fe5448307b57a2a3fb2db389ae37e7a8b8cdca2ab + md5: cf01a81d7960ad9c829bf2e794fcee9a + depends: + - jupyter_client >=7.0.0 + - jupyter_core >=5.4 + - nbformat >=5.2.0 + - python >=3.10 + - traitlets >=5.13 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 29138 + timestamp: 1780661039538 +- conda: https://conda.anaconda.org/conda-forge/noarch/nbconvert-core-7.17.1-pyhcf101f3_0.conda + sha256: ab2ac79c5892c5434d50b3542d96645bdaa06d025b6e03734be29200de248ac2 + md5: 2bce0d047658a91b99441390b9b27045 + depends: + - beautifulsoup4 + - bleach-with-css !=5.0.0 + - defusedxml + - importlib-metadata >=3.6 + - jinja2 >=3.0 + - jupyter_core >=4.7 + - jupyterlab_pygments + - markupsafe >=2.0 + - mistune >=2.0.3,<4 + - nbclient >=0.5.0 + - nbformat >=5.7 + - packaging + - pandocfilters >=1.4.1 + - pygments >=2.4.1 + - python >=3.10 + - traitlets >=5.1 + - python + constrains: + - pandoc >=2.9.2,<4.0.0 + - nbconvert ==7.17.1 *_0 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 202229 + timestamp: 1775615493260 +- conda: https://conda.anaconda.org/conda-forge/noarch/nbformat-5.11.0-pyhcf101f3_1.conda + sha256: 4aeff72162e4b3f77238c859547275b9a989ed6873bffbdbc4d688291a60919b + md5: 3e7eb1cc4a342b2e7f68199b50fbe3cb + depends: + - jsonschema >=2.6 + - jupyter_core >=4.12,!=5.0.* + - python >=3.10 + - python-fastjsonschema >=2.15 + - traitlets >=5.1 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 107583 + timestamp: 1786372859684 +- conda: https://conda.anaconda.org/conda-forge/noarch/nest-asyncio2-1.7.2-pyhcf101f3_0.conda + sha256: e6768ceef038f4d7e083de7e393f5dd7d672b937e2bda570b740f6399b686689 + md5: fcd832bfd4749e9b246112b6894f97fc + depends: + - python >=3.10 + - python + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 15903 + timestamp: 1770973502283 +- conda: https://conda.anaconda.org/conda-forge/noarch/networkx-3.6.1-pyhcf101f3_0.conda + sha256: f6a82172afc50e54741f6f84527ef10424326611503c64e359e25a19a8e4c1c6 + md5: a2c1eeadae7a309daed9d62c96012a2b + depends: + - python >=3.11 + - python + constrains: + - numpy >=1.25 + - scipy >=1.11.2 + - matplotlib-base >=3.8 + - pandas >=2.0 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 1587439 + timestamp: 1765215107045 +- conda: https://conda.anaconda.org/conda-forge/noarch/nomkl-1.0-h5ca1d4c_0.tar.bz2 + sha256: d38542a151a90417065c1a234866f97fd1ea82a81de75ecb725955ab78f88b4b + md5: 9a66894dfd07c4510beb6b3f9672ccc0 + constrains: + - mkl <0.a0 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 3843 + timestamp: 1582593857545 +- conda: https://conda.anaconda.org/conda-forge/noarch/notebook-7.6.2-pyhcf101f3_0.conda + sha256: fb2fed7ff3ac2a94225f444984b6316cd2bf9419db0f45057334c57df3c20d0f + md5: ca3a76b7ae886c30f2ef6e0ca851b2ab + depends: + - jupyter_server >=2.19.0,<3 + - jupyter-builder >=1.0.2,<2 + - jupyterlab >=4.6.3,<4.7 + - jupyterlab_server >=2.28.0,<3 + - notebook-shim >=0.2,<0.3 + - python >=3.10 + - tornado >=6.2.0 + - python + license: BSD-3-Clause + run_exports: {} + size: 4631065 + timestamp: 1786455253264 +- conda: https://conda.anaconda.org/conda-forge/noarch/notebook-shim-0.2.4-pyhd8ed1ab_1.conda + sha256: 7b920e46b9f7a2d2aa6434222e5c8d739021dbc5cc75f32d124a8191d86f9056 + md5: e7f89ea5f7ea9401642758ff50a2d9c1 + depends: + - jupyter_server >=1.8,<3 + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 16817 + timestamp: 1733408419340 +- conda: https://conda.anaconda.org/conda-forge/noarch/openfe-1.12.0-pyhe8f615d_1.conda + sha256: d442db4f42b0754fb263095c3cae73e68a3a3f741a590dfd6b3012f69a52e329 + md5: af805c19bc1b29211de73a36714db7a2 + depends: + - python >=3.11 + - jq + - py3dmol + - openfe-base ==1.12.0 pyhc364b38_1 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 9707 + timestamp: 1784128089934 +- conda: https://conda.anaconda.org/conda-forge/noarch/openfe-analysis-0.5.0-pyhc364b38_2.conda + sha256: b5ec7acab0f83bfd3f37fc27083142c2f7dba40fb8aa0bfa9d4c656c629801e2 + md5: ddc97063e189d6705f6d18d1e8827f7c + depends: + - mdanalysis >=2.8.0 + - matplotlib-base + - click + - netcdf4 + - openff-units + - python >=3.11 + - tqdm + - pyyaml + - rdkit + - spyrmsd + - python + license: MIT + license_family: MIT + run_exports: {} + size: 36148 + timestamp: 1784045034404 +- conda: https://conda.anaconda.org/conda-forge/noarch/openfe-base-1.12.0-pyhc364b38_1.conda + sha256: 8e777e4b83a1a6f7ea31a5d1eff05c008ff78da186cec213f501386ebf17f9d8 + md5: 5f8ae8a41d8defa04f17e5b7dba5b6e3 + depends: + - cinnabar ~=0.6.0 + - click >=8.2.0,<9.0 + - gufe ~=1.12.0 + - kartograf ~=2.0.0 + - konnektor ~=0.4.0 + - lomap2 ~=3.3.0 + - matplotlib-base + - networkx + - numpy + - openfe-analysis ~=0.5.0 + - openff-toolkit-base >=0.16.2,<0.19 + - openff-units ==0.3.1 + - openmm !=8.1.0,!=8.3,>=8.0.0,<8.5.0 + - openmmforcefields >=0.15.1 + - openmmtools >=0.26 + - packaging + - pint >=0.24.0 + - plugcli + - pooch >=1.9.0 + - psutil <7.2.0 + - pydantic >=2.0,<2.12 + - pygraphviz + - pymbar >=4.0 + - pytest + - pytest-regressions + - pytest-rerunfailures + - python >=3.11 + - rdkit <2026.3 + - rich + - threadpoolctl + - typing-extensions + - python + constrains: + - dask >=2025 + - smirnoff99frosst >=1.1.0.1 + - openff-interchange-base >=0.5.0,!=0.5.1 + license: MIT + license_family: MIT + run_exports: {} + size: 8818150 + timestamp: 1784128089934 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-amber-ff-ports-2025.09.0-pyhd8ed1ab_0.conda + sha256: a437b074cb53a94275ea2d8294776115780a9b9177acdf0dac658887e61e69b0 + md5: 577353bf1c9f4dca81e99400cc7ca571 + depends: + - python >=3.11 + - setuptools + license: CC-BY-4.0 + license_family: CC + run_exports: {} + size: 222475 + timestamp: 1758297599388 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-forcefields-2026.01.0-pyhd8ed1ab_0.conda + sha256: 0ddbef322b893062565e91218689a9ffff1380f6742df12d783ce63b49325c57 + md5: a58c407277d3c04a21cea9eaeea03618 + depends: + - python >=3.11 + - setuptools + constrains: + - openforcefields ==9999999999 + license: CC-BY-4.0 + license_family: CC + run_exports: {} + size: 118532 + timestamp: 1768284405101 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-interchange-0.5.3-pyhd8ed1ab_3.conda + sha256: 2697e51ad07798723a2f1de8b529555d4283ea94b9fc5a0f546de65b5b604d9a + md5: 6eae7e4f3c1f7a6fe09e9e4ea8ade4a3 + depends: + - openff-interchange-base 0.5.3 pyhd8ed1ab_3 + - openff-packmol + - openff-toolkit >=0.17.0,<0.19 + - openmm 8.* + - pyedr + - python >=3.12 + license: MIT + license_family: MIT + run_exports: {} + size: 8899 + timestamp: 1780945930409 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-interchange-base-0.5.3-pyhd8ed1ab_3.conda + sha256: 0343f3d68d1ff364a94e3236182de80fb2ac92ca6500a44985c39b9db9749caf + md5: 55e04355450b674daa8f97728b6bc4ce + depends: + - numpy <2.5 + - openff-toolkit-base >=0.16.0,<0.19 + - openff-units >=0.2.0,<0.4.0 + - openff-utilities >=0.1.5 + - pydantic >=2,<2.12 + - python >=3.12 + constrains: + - jax >=0.3 + - jaxlib >=0.3 + - smirnoff-plugins >=2024.07.0 + - lammps >=2023.08.02 + - foyer =1 + license: MIT + license_family: MIT + run_exports: {} + size: 697398 + timestamp: 1780945918491 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-0.5.5-pyhd8ed1ab_1.conda + sha256: 67ad762f7bb805ae2aaf2549bf16752eda7736aec7deedd24260f6d43e8e9fa2 + md5: 911c69f32eaca0a9a613dd5fddeeadfc + depends: + - openff-nagl-base 0.5.5 pyhd8ed1ab_1 + - openff-nagl-models >=0.1.0 + - python >=3.11 + license: MIT + license_family: MIT + run_exports: {} + size: 7812 + timestamp: 1781732080112 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-base-0.5.5-pyhd8ed1ab_1.conda + sha256: 1e2fec37a988d056afa032e8ab90ba6dda22a6a64d4fb1124b8df9c81b081d3d + md5: 8c4dda8396b22bd94c02e22615edf7c4 + depends: + - click + - click-option-group + - openff-toolkit-base >=0.11.0 + - openff-units + - pydantic <3 + - python >=3.11 + - pytorch >=2.6 + - pytorch-lightning + - pyyaml + - rdkit + - rich + - tqdm + constrains: + - dgl >=1.0,<=3 + - openeye-toolkits + license: MIT + license_family: MIT + run_exports: {} + size: 122642 + timestamp: 1781732074685 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-models-2025.9.0-pyhd8ed1ab_1.conda + sha256: 0bb342e22d1fb8e869769d7f9ffcdc8b653646b9468671df71024a026d375910 + md5: 20e56a5d82df788b52c40bad35178aff + depends: + - importlib_resources + - packaging + - platformdirs + - python >=3.11 + constrains: + - openff-toolkit >=0.17 + - openff-nagl >=0.5.2 + license: CC-BY-4.0 + license_family: CC + run_exports: {} + size: 53243104 + timestamp: 1781575267491 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-packmol-0.1-pyhc364b38_1.conda + sha256: 3731be50dd16e2dc4bc8a48aabe0b88cbe3fa541a6aff364f9aa7c4b5fa072ae + md5: ece7dd54da782bdb3d946b594af7f1f2 + depends: + - python >=3.11 + - numpy + - scipy + - packaging + - openff-toolkit-base >=0.18 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 26643 + timestamp: 1775065370824 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-toolkit-0.18.1-pyhd8ed1ab_3.conda + sha256: 9650c3da1484a9fe79278597ef9e17e0df4b641643a20e75f650236e1f15a659 + md5: 75f900b19ad24d364b2b8d796e879e60 + depends: + - openff-interchange >=0.5 + - openff-nagl >=0.5.2 + - openff-toolkit-base 0.18.1 pyhd8ed1ab_3 + - openmm >=8 + - python >=3.12 + constrains: + - ambertools >=22 + license: MIT + license_family: MIT + run_exports: {} + size: 9809 + timestamp: 1784238304468 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-toolkit-base-0.18.1-pyhd8ed1ab_3.conda + sha256: 6443614a63d6360f09d484839070f57248562879b0195efbcc2c50a1cf168854 + md5: 201ebc6e389512565a8a046fddfc6ce0 + depends: + - bson + - cachetools + - networkx >=2.5 + - numpy + - openff-amber-ff-ports >=2025.09.0 + - openff-forcefields + - openff-units >=0.2 + - openff-utilities + - packaging + - python >=3.12,<3.14.0a0 + - python-constraint + - rdkit !=2024.03.6 + - xmltodict <1.0.3 + constrains: + - qcportal >=0.50.0 + - pydantic <3.0.0a0 + - openforcefield ==9999999999 + license: MIT + license_family: MIT + run_exports: {} + size: 8038029 + timestamp: 1784238291644 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-units-0.3.1-pyhd8ed1ab_2.conda + sha256: 8b7a13245ab7c45c4f1a87748645edf387057fdb4cdc14dffc1f7edb9b2b85b6 + md5: 2121e9fafec5dc4f52cc03f326435ff0 + depends: + - numpy + - openff-utilities + - pint >=0.24.0,<0.24.5 + - python >=3.11,<3.14.0a0 + constrains: + - openmm >7.6 + license: MIT + license_family: MIT + run_exports: {} + size: 28251 + timestamp: 1753214784751 +- conda: https://conda.anaconda.org/conda-forge/noarch/openff-utilities-0.1.17-pyhac95a24_0.conda + sha256: f6185b43f3da5f093b450af96d958eb5a78752aaea7491969c560d11fbd6eb1a + md5: ca1e650b72d1bb8a7a38f17d1ae49dbe + depends: + - python >=3.12 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 20747 + timestamp: 1786370162848 +- conda: https://conda.anaconda.org/conda-forge/noarch/openmmforcefields-0.15.1-pyhcf101f3_1.conda + sha256: 4d44380af347fb46b4b7a3233dc1d5e17ead6c0bb848d80fc635e92e4af8123e + md5: f9bafcf0a23cde6cd05efceb104f86a1 + depends: + - importlib_resources + - ambertools >=22,<25 + - lxml + - networkx + - numpy + - openff-interchange >=0.4 + - openff-toolkit >=0.16.1 + - openff-units >=0.2 + - openmm >=8.1.2 + - python >=3.11 + - pyyaml + - tinydb + - validators + - python + constrains: + - espaloma >=0.3.2 + - openforcefield 9999999999999.* + - parmed >=4.3.1 + license: MIT + license_family: MIT + run_exports: {} + size: 3264682 + timestamp: 1770247309545 +- conda: https://conda.anaconda.org/conda-forge/noarch/openmmtools-0.26.0-pyhcf101f3_1.conda + sha256: 9ae135a0b779113cb83fdacca8f476737a09c845ae6abaca7ead40c50ef5adaa + md5: 125fe46ac6e0d8a9cfa29dc85e136589 + depends: + - hdf5 + - libnetcdf >=4.6.2 + - mdtraj + - mpiplus + - netcdf4 >=1.5 + - numba + - numpy >1.9 + - openmm >=7.3.1 + - pandas + - pdbfixer + - pymbar + - python >=3.11 + - pyyaml + - scipy >=1.15.0 + - setuptools + - python + license: MIT + license_family: MIT + run_exports: {} + size: 9639886 + timestamp: 1767902560714 +- conda: https://conda.anaconda.org/conda-forge/noarch/opt_einsum-3.4.0-pyhd8ed1ab_1.conda + sha256: af71aabb2bfa4b2c89b7b06403e5cec23b418452cae9f9772bd7ac3f9ea1ff44 + md5: 52919815cd35c4e1a0298af658ccda04 + depends: + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 62479 + timestamp: 1733688053334 +- conda: https://conda.anaconda.org/conda-forge/noarch/overrides-7.7.0-pyhd8ed1ab_1.conda + sha256: 1840bd90d25d4930d60f57b4f38d4e0ae3f5b8db2819638709c36098c6ba770c + md5: e51f1e4089cad105b6cac64bd8166587 + depends: + - python >=3.9 + - typing_utils + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 30139 + timestamp: 1734587755455 +- conda: https://conda.anaconda.org/conda-forge/noarch/packaging-26.3-pyhc364b38_0.conda + sha256: c432626b16768b8dab228bfb706f7060c2d462a21c516d240f68f2f902b5a044 + md5: 936687ed80f295a1f5dbcf8bd34c252c + depends: + - python >=3.9 + - python + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 116363 + timestamp: 1785888127370 +- conda: https://conda.anaconda.org/conda-forge/noarch/pandocfilters-1.5.0-pyhd8ed1ab_0.tar.bz2 + sha256: 2bb9ba9857f4774b85900c2562f7e711d08dd48e2add9bee4e1612fbee27e16f + md5: 457c2c8c08e54905d6954e79cb5b5db9 + depends: + - python !=3.0,!=3.1,!=3.2,!=3.3 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 11627 + timestamp: 1631603397334 +- conda: https://conda.anaconda.org/conda-forge/noarch/parso-0.8.7-pyhcf101f3_0.conda + sha256: 611882f7944b467281c46644ffde6c5145d1a7730388bcde26e7e86819b0998e + md5: 39894c952938276405a1bd30e4ce2caf + depends: + - python >=3.10 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 82472 + timestamp: 1777722955579 +- conda: https://conda.anaconda.org/conda-forge/noarch/patsy-1.0.2-pyhcf101f3_0.conda + sha256: 9678f4745e6b82b36fab9657a19665081862268cb079cf9acf878ab2c4fadee9 + md5: 8678577a52161cc4e1c93fcc18e8a646 + depends: + - numpy >=1.4.0 + - python >=3.10 + - python + license: BSD-2-Clause AND PSF-2.0 + run_exports: {} + size: 193450 + timestamp: 1760998269054 +- conda: https://conda.anaconda.org/conda-forge/noarch/pdbfixer-1.12-pyhd8ed1ab_1.conda + sha256: 00d71eb14af7634d48c32600c55ae385b8d45b3d4c74b6c75c404f5af358cd4d + md5: ae0b5e880fd6f5815fe7d2075200c33b + depends: + - legacy-cgi + - numpy + - openmm >=8.2 + - python >=3.10 + - setuptools + license: MIT + license_family: MIT + run_exports: {} + size: 546457 + timestamp: 1775865529631 +- conda: https://conda.anaconda.org/conda-forge/noarch/pexpect-4.9.0-pyhd8ed1ab_1.conda + sha256: 202af1de83b585d36445dc1fda94266697341994d1a3328fabde4989e1b3d07a + md5: d0d408b1f18883a944376da5cf8101ea + depends: + - ptyprocess >=0.5 + - python >=3.9 + license: ISC + run_exports: {} + size: 53561 + timestamp: 1733302019362 +- conda: https://conda.anaconda.org/conda-forge/noarch/pint-0.24.4-pyhe01879c_2.conda + sha256: 0826610d55955ea4b274a6b2553902f285901cd0082aa20e139de5355f1a5acc + md5: 7c7e5db36556343121c7baabcfdd85f6 + depends: + - python >=3.9 + - platformdirs >=2.1.0 + - flexcache >=0.3 + - flexparser >=0.4 + - typing_extensions >=4.0.0 + - python + constrains: + - numpy >=1.23 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 240361 + timestamp: 1753127340588 +- conda: https://conda.anaconda.org/conda-forge/noarch/pip-26.2.1-pyh145f28c_0.conda + sha256: 0f7021cfb3ff454c91a5e28e1f5060906a52c6d1cde3f879a7d03ac33c28b1c3 + md5: 573cb3ed111004230ed3de650653cd4d + depends: + - python >=3.13.0a0 + license: MIT + license_family: MIT + run_exports: {} + size: 1198163 + timestamp: 1785914482439 +- conda: https://conda.anaconda.org/conda-forge/noarch/platformdirs-4.11.2-pyhcf101f3_0.conda + sha256: eea7ead8bcdc3b307241cbc8d038f8b95db9e351e52f2bf3c12ad55eb4d9a8d1 + md5: 15f2020d6b2ede94d80b2c884a1a6f3e + depends: + - python >=3.10 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 26869 + timestamp: 1786390868223 +- conda: https://conda.anaconda.org/conda-forge/noarch/plotly-6.9.0-pyhd8ed1ab_0.conda + sha256: b92b10adbeff5c539c130a4d171338404b3618e15f1154b3afb9dba15441e611 + md5: 452e17d774bb4d3211ae2cf5bfb2c1c9 + depends: + - narwhals >=1.15.1 + - packaging + - python >=3.10 + constrains: + - ipywidgets >=7.6 + license: MIT + license_family: MIT + run_exports: {} + size: 5239872 + timestamp: 1783625491771 +- conda: https://conda.anaconda.org/conda-forge/noarch/plugcli-0.2.1-pyhd8ed1ab_0.conda + sha256: 48c1a112896bd29191203ba4d4cbde7b39efb4245fd292e3879a986b43948b38 + md5: 89fa03d862a25f1f7058015740566741 + depends: + - click + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 19048 + timestamp: 1755636404101 +- conda: https://conda.anaconda.org/conda-forge/noarch/pluggy-1.6.0-pyhf9edf01_1.conda + sha256: e14aafa63efa0528ca99ba568eaf506eb55a0371d12e6250aaaa61718d2eb62e + md5: d7585b6550ad04c8c5e21097ada2888e + depends: + - python >=3.9 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 25877 + timestamp: 1764896838868 +- conda: https://conda.anaconda.org/conda-forge/noarch/pooch-1.9.0-pyhd8ed1ab_0.conda + sha256: 081e52c4612830bf1fd4a9c78eebaf335d1385d74ddfd328b1b2f26b983848eb + md5: dd4b6337bf8886855db6905b336db3c8 + depends: + - packaging >=20.0 + - platformdirs >=2.5.0 + - python >=3.10 + - requests >=2.19.0 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 56833 + timestamp: 1769816568869 +- conda: https://conda.anaconda.org/conda-forge/noarch/prometheus_client-0.26.0-pyhd8ed1ab_0.conda + sha256: 794eec057361b41db1b06a9677eb8632adc0de81f7dcfe113bca8f0b04a23553 + md5: 3aa7e2d85645e61627c98082747dfdfe + depends: + - python >=3.10 + license: Apache-2.0 + license_family: Apache + run_exports: {} + size: 61554 + timestamp: 1785016068982 +- conda: https://conda.anaconda.org/conda-forge/noarch/prompt-toolkit-3.0.53-pyha770c72_0.conda + sha256: efe8def2c93aa34cd8d3c9af1dc4c7d312791cf769d8b2b615e32733e6df6051 + md5: 39c92a39517316e5001d645ae63d9ab9 + depends: + - python >=3.10 + - wcwidth + constrains: + - prompt_toolkit 3.0.53 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 276081 + timestamp: 1785160613307 +- conda: https://conda.anaconda.org/conda-forge/noarch/ptyprocess-0.7.0-pyhd8ed1ab_1.conda + sha256: a7713dfe30faf17508ec359e0bc7e0983f5d94682492469bd462cdaae9c64d83 + md5: 7d9daffbb8d8e0af0f769dbbcd173a54 + depends: + - python >=3.9 + license: ISC + run_exports: {} + size: 19457 + timestamp: 1733302371990 +- conda: https://conda.anaconda.org/conda-forge/noarch/pure_eval-0.2.3-pyhd8ed1ab_1.conda + sha256: 71bd24600d14bb171a6321d523486f6a06f855e75e547fa0cb2a0953b02047f0 + md5: 3bfdfb8dbcdc4af1ae3f9a8eb3948f04 + depends: + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 16668 + timestamp: 1733569518868 +- conda: https://conda.anaconda.org/conda-forge/noarch/py-cpuinfo-9.0.0-pyhd8ed1ab_1.conda + sha256: 6d8f03c13d085a569fde931892cded813474acbef2e03381a1a87f420c7da035 + md5: 46830ee16925d5ed250850503b5dc3a8 + depends: + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 25766 + timestamp: 1733236452235 +- conda: https://conda.anaconda.org/conda-forge/noarch/py3dmol-2.5.4-pyhd8ed1ab_0.conda + sha256: de9ac46d330aa7b5cb833ecb851249a550d6a6f8f8a4cbb7748b9cd6220f6c52 + md5: ebac7a00117092f22f0ebc28bc3dad66 + depends: + - ipython + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 13737 + timestamp: 1769417304572 +- conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-3.0.1-pyh7a1b43c_0.conda + sha256: 2558727093f13d4c30e124724566d16badd7de532fd8ee7483628977117d02be + md5: 70ece62498c769280f791e836ac53fff + depends: + - python >=3.8 + - pybind11-global ==3.0.1 *_0 + - python + constrains: + - pybind11-abi ==11 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 232875 + timestamp: 1755953378112 +- conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-abi-11-hc364b38_1.conda + sha256: 9e7fe12f727acd2787fb5816b2049cef4604b7a00ad3e408c5e709c298ce8bf1 + md5: f0599959a2447c1e544e216bddf393fa + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - pybind11-abi ==11 + size: 14671 + timestamp: 1752769938071 +- conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-global-3.0.1-pyhc7ab6ef_0.conda + sha256: f11a5903879fe3a24e0d28329cb2b1945127e85a4cdb444b45545cf079f99e2d + md5: fe10b422ce8b5af5dab3740e4084c3f9 + depends: + - python >=3.8 + - __unix + - python + constrains: + - pybind11-abi ==11 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 228871 + timestamp: 1755953338243 +- conda: https://conda.anaconda.org/conda-forge/noarch/pycparser-3.0-pyhcf101f3_0.conda + sha256: e27e0473fc6723311a0bd48b89b616fa1b996a2f7a2b555338cbbcfb9c640568 + md5: 9c5491066224083c41b6d5635ed7107b + depends: + - python >=3.10 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 55886 + timestamp: 1779293633166 +- conda: https://conda.anaconda.org/conda-forge/noarch/pydantic-2.11.10-pyh3cfb1c2_0.conda + sha256: 26779821ba83b896f319837d7c5301cc244dee41b311d2bd57cbd693ed9e43ef + md5: 918d9adfc81cb14ab4cced31d22c7711 + depends: + - annotated-types >=0.6.0 + - pydantic-core 2.33.2 + - python >=3.10 + - typing-extensions >=4.6.1 + - typing-inspection >=0.4.0 + - typing_extensions >=4.12.2 + license: MIT + license_family: MIT + run_exports: {} + size: 307863 + timestamp: 1759584847417 +- conda: https://conda.anaconda.org/conda-forge/noarch/pyedr-0.8.0-pyhd8ed1ab_1.conda + sha256: de95768c61325511ff2b477398ba57ea513c4052faab905a02784bb1f35bb550 + md5: 96431184a69661798fc2e90495192d69 + depends: + - mda-xdrlib + - numpy + - python >=3.9 + - tqdm + license: LGPL-2.1-or-later + run_exports: {} + size: 344942 + timestamp: 1734172243506 +- conda: https://conda.anaconda.org/conda-forge/noarch/pygments-2.20.0-pyhd8ed1ab_0.conda + sha256: cf70b2f5ad9ae472b71235e5c8a736c9316df3705746de419b59d442e8348e86 + md5: 16c18772b340887160c79a6acc022db0 + depends: + - python >=3.10 + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 893031 + timestamp: 1774796815820 +- conda: https://conda.anaconda.org/conda-forge/noarch/pymbar-4.2.0-pyha770c72_2.conda + sha256: 306eb08d5546586980fc27813dfe0bd97b745f38da29e425a116775e01393355 + md5: c3013faf32768824f7c87f6d91418eb0 + depends: + - jax + - pymbar-core 4.2.0 pyhd8ed1ab_2 + - python >=3.10 + constrains: + - jaxlib >=0.3 + license: MIT + license_family: MIT + run_exports: {} + size: 7138 + timestamp: 1761766102709 +- conda: https://conda.anaconda.org/conda-forge/noarch/pymbar-core-4.2.0-pyhd8ed1ab_2.conda + sha256: 6310fbe4b2d4bbce962ec6cd260942e73c5226c1ce84a6b3e9f196d1b59ea592 + md5: 3213ebcc75351929ee0461d078e3c197 + depends: + - numexpr + - numpy + - python >=3.10 + - scipy >=1.0.0 + license: MIT + license_family: MIT + run_exports: {} + size: 91046 + timestamp: 1761766102106 +- conda: https://conda.anaconda.org/conda-forge/noarch/pyparsing-3.3.2-pyhcf101f3_0.conda + sha256: 417fba4783e528ee732afa82999300859b065dc59927344b4859c64aae7182de + md5: 3687cc0b82a8b4c17e1f0eb7e47163d5 + depends: + - python >=3.10 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 110893 + timestamp: 1769003998136 +- conda: https://conda.anaconda.org/conda-forge/noarch/pysocks-1.7.1-pyha55dd90_7.conda + sha256: ba3b032fa52709ce0d9fd388f63d330a026754587a2f461117cac9ab73d8d0d8 + md5: 461219d1a5bd61342293efa2c0c90eac + depends: + - __unix + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 21085 + timestamp: 1733217331982 +- conda: https://conda.anaconda.org/conda-forge/noarch/pytest-9.1.1-pyhc364b38_2.conda + sha256: 430051d80765207a7d782b2b188230ba1489d35c6e75fd9903f76cb9fda4af16 + md5: 64c98a12c4e23eb238bf66bbecafdf3c + depends: + - colorama + - pygments >=2.7.2 + - python >=3.10 + - iniconfig >=1.0.1 + - packaging >=22 + - pluggy >=1.5,<2 + - tomli >=1 + - exceptiongroup >=1 + - python + constrains: + - pytest-faulthandler >=2 + license: MIT + license_family: MIT + run_exports: {} + size: 306724 + timestamp: 1782127176429 +- conda: https://conda.anaconda.org/conda-forge/noarch/pytest-datadir-1.8.0-pyhd8ed1ab_0.conda + sha256: 9bb02764223157d4b58f7b193f8cdaf82f36a1ade1cd7df611e09e824ece43d8 + md5: e46da0323c9a50ef1b53c20d33e243a0 + depends: + - pytest >=7.0 + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 12519 + timestamp: 1753915123443 +- conda: https://conda.anaconda.org/conda-forge/noarch/pytest-regressions-2.11.0-pyhc455866_0.conda + sha256: ba4413898fc01903ef1291a18842689345364b2d79eaa315851b829754d38818 + md5: b73569e55629580f6d277fe57cc3c9e3 + depends: + - pytest >=6.2.0 + - pytest-datadir >=1.7.0 + - python >=3.10 + - pyyaml + license: MIT + license_family: MIT + run_exports: {} + size: 78330 + timestamp: 1779792061225 +- conda: https://conda.anaconda.org/conda-forge/noarch/pytest-rerunfailures-16.4-pyhd8ed1ab_0.conda + sha256: d4e2952eb6fd30c2f2b939d6ebbcf27bbc53d543d5605830da2a57b37c28501c + md5: 332b998a40d179d02787c9d7678b6ffb + depends: + - packaging >=17.1 + - pytest !=8.2.2,>=8.1 + - python >=3.10 + license: MPL-2.0 + license_family: OTHER + run_exports: {} + size: 22855 + timestamp: 1782920468250 +- conda: https://conda.anaconda.org/conda-forge/noarch/python-constraint-1.4.0-pyhff2d567_1.conda + sha256: 953ae7a61c363fb57076f141c9c8def2e3767f11884165f6c4a2cccfb4d8b159 + md5: 2848429a376fd2676af5b320a28fd3d9 + depends: + - python >=3.9 + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 26134 + timestamp: 1734363065821 +- conda: https://conda.anaconda.org/conda-forge/noarch/python-dateutil-2.9.0.post0-pyhe01879c_2.conda + sha256: d6a17ece93bbd5139e02d2bd7dbfa80bee1a4261dced63f65f679121686bf664 + md5: 5b8d21249ff20967101ffa321cab24e8 + depends: + - python >=3.9 + - six >=1.5 + - python + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 233310 + timestamp: 1751104122689 +- conda: https://conda.anaconda.org/conda-forge/noarch/python-fastjsonschema-2.22.1-pyhcf101f3_0.conda + sha256: 2243b305387413fa716827dce44011ea121be002e7ec24404ba00651db0279cd + md5: d066c36f0c7658ef422c60d598ea8495 + depends: + - python >=3.10 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 252180 + timestamp: 1785242896823 +- conda: https://conda.anaconda.org/conda-forge/noarch/python-gil-3.13.15-h4df99d1_101.conda + sha256: bc9fcc5c7bf80a382fc2b38a22db3549b39dc5ae114537c32fe610be005d16ba + md5: c5e565a020c31fd7aba0a87dc2fc29d0 + depends: + - cpython 3.13.15.* + - python_abi * *_cp313 + license: Python-2.0 + run_exports: {} + size: 48362 + timestamp: 1786366765154 +- conda: https://conda.anaconda.org/conda-forge/noarch/python-json-logger-4.1.0-pyhd8ed1ab_0.conda + sha256: a0dfe07d0bc1d8c47a38b79ad4a8eb1bc7b86fb33ee5293ebb45dfdc46191f4e + md5: 982ed0cbfc0fe09f25861e3d111e9717 + depends: + - python >=3.10 + - typing_extensions + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 19249 + timestamp: 1781036004580 +- conda: https://conda.anaconda.org/conda-forge/noarch/python-tzdata-2026.3-pyhd8ed1ab_0.conda + sha256: 3f05db78cf8be33cf6dbc469664b8e3a01f3980d61d6d6bef48669b171896d8a + md5: eefc8d916bd2e708d76d40398ef9a1ee + depends: + - python >=3.10 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 146862 + timestamp: 1783704822814 +- conda: https://conda.anaconda.org/conda-forge/noarch/python_abi-3.13-8_cp313.conda + build_number: 8 + sha256: 210bffe7b121e651419cb196a2a63687b087497595c9be9d20ebe97dd06060a7 + md5: 94305520c52a4aa3f6c2b1ff6008d9f8 + constrains: + - python 3.13.* *_cp313 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 7002 + timestamp: 1752805902938 +- conda: https://conda.anaconda.org/conda-forge/noarch/pytorch-lightning-2.6.5-pyhcf101f3_0.conda + sha256: b8ef2fe020494645873a186c55a8c1610fc0d28911b874337eb41313ea9d9a18 + md5: a8969a079d3f73c06855ac07d50d412b + depends: + - fsspec >=2022.5.0 + - python >=3.10 + - packaging >=23.0 + - pyyaml >5.4 + - pytorch >=2.1.0 + - tqdm >=4.57.0 + - torchmetrics >0.7.0 + - typing_extensions >4.5.0 + - lightning-utilities >=0.10.0 + - python + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 496503 + timestamp: 1780387900560 +- conda: https://conda.anaconda.org/conda-forge/noarch/pytz-2026.3.post1-pyhcf101f3_0.conda + sha256: ad774abda71c759baef515983bfedbba34d56d6227974c23715c04612f812a90 + md5: eb2fb9070c0232e96ae5515d8b28e4f9 + depends: + - python >=3.10 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 201126 + timestamp: 1785077087428 +- conda: https://conda.anaconda.org/conda-forge/noarch/referencing-0.37.0-pyhcf101f3_0.conda + sha256: 0577eedfb347ff94d0f2fa6c052c502989b028216996b45c7f21236f25864414 + md5: 870293df500ca7e18bedefa5838a22ab + depends: + - attrs >=22.2.0 + - python >=3.10 + - rpds-py >=0.7.0 + - typing_extensions >=4.4.0 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 51788 + timestamp: 1760379115194 +- conda: https://conda.anaconda.org/conda-forge/noarch/reportlab-5.0.0-pyhc364b38_0.conda + sha256: 29fe44436a0efb146438a0b141dc9e2ae6d3ca5236f64062368cd73d729dba6b + md5: 13be94789e94c0806539b0d7e7f00560 + depends: + - charset-normalizer + - pillow >=9 + - python >=3.9,<4 + - rlpycairo >=0.2.0,<1 + - freetype-py >=2.3.0,<2.4 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 1718122 + timestamp: 1781795843760 +- conda: https://conda.anaconda.org/conda-forge/noarch/requests-2.34.2-pyhcf101f3_0.conda + sha256: 1715246b19c9f85ee022933b4845f2fc14ac9184981b7b7d9b728bec8e9588da + md5: 4a85203c1d80c1059086ae860836ffb9 + depends: + - python >=3.10 + - certifi >=2023.5.7 + - charset-normalizer >=2,<4 + - idna >=2.5,<4 + - urllib3 >=1.26,<3 + - python + constrains: + - chardet >=3.0.2,<8 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 68709 + timestamp: 1778851103479 +- conda: https://conda.anaconda.org/conda-forge/noarch/rfc3339-validator-0.1.4-pyhd8ed1ab_1.conda + sha256: 2e4372f600490a6e0b3bac60717278448e323cab1c0fecd5f43f7c56535a99c5 + md5: 36de09a8d3e5d5e6f4ee63af49e59706 + depends: + - python >=3.9 + - six + license: MIT + license_family: MIT + run_exports: {} + size: 10209 + timestamp: 1733600040800 +- conda: https://conda.anaconda.org/conda-forge/noarch/rfc3986-validator-0.1.1-pyh9f0ad1d_0.tar.bz2 + sha256: 2a5b495a1de0f60f24d8a74578ebc23b24aa53279b1ad583755f223097c41c37 + md5: 912a71cc01012ee38e6b90ddd561e36f + depends: + - python + license: MIT + license_family: MIT + run_exports: {} + size: 7818 + timestamp: 1598024297745 +- conda: https://conda.anaconda.org/conda-forge/noarch/rfc3987-syntax-1.1.0-pyhe01879c_1.conda + sha256: 70001ac24ee62058557783d9c5a7bbcfd97bd4911ef5440e3f7a576f9e43bc92 + md5: 7234f99325263a5af6d4cd195035e8f2 + depends: + - python >=3.9 + - lark >=1.2.2 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 22913 + timestamp: 1752876729969 +- conda: https://conda.anaconda.org/conda-forge/noarch/rich-15.0.0-pyhcf101f3_0.conda + sha256: 3d6ba2c0fcdac3196ba2f0615b4104e532525ffa1335b50a2878be5ff488814a + md5: 0242025a3c804966bf71aa04eee82f66 + depends: + - markdown-it-py >=2.2.0 + - pygments >=2.13.0,<3.0.0 + - python >=3.10 + - typing_extensions >=4.0.0,<5.0.0 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 208577 + timestamp: 1775991661559 +- conda: https://conda.anaconda.org/conda-forge/noarch/rlpycairo-0.4.0-pyh6c17108_0.conda + sha256: 8d993b1a7d869855a1f6358dcc3de08dbeda9263d8c852d44bfc3900701c1e6c + md5: cc70086eaf08be7f62fd44842c013916 + depends: + - freetype-py >=2.3 + - pycairo >=1.20.0 + - python >=3.10 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 15558 + timestamp: 1756864268077 +- conda: https://conda.anaconda.org/conda-forge/noarch/scikit-mol-0.6.1-pyhd8ed1ab_0.conda + sha256: f4ebef1d6689f41b663eada1753e6f68ec3e52ab09accb7db1b8e4b0d0a631f3 + md5: 760b130666a8e8160420bbb26b9f3acb + depends: + - numpy + - packaging + - pandas + - python >=3.9 + - rdkit + - scikit-learn + license: LGPL-3.0-only + license_family: LGPL + run_exports: {} + size: 44713 + timestamp: 1748863920058 +- conda: https://conda.anaconda.org/conda-forge/noarch/seaborn-0.13.2-hd8ed1ab_3.conda + noarch: python + sha256: ea29a69b14dd6be5cdeeaa551bf50d78cafeaf0351e271e358f9b820fcab4cb0 + md5: 62afb877ca2c2b4b6f9ecb37320085b6 + depends: + - seaborn-base 0.13.2 pyhd8ed1ab_3 + - statsmodels >=0.12 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 6876 + timestamp: 1733730113224 +- conda: https://conda.anaconda.org/conda-forge/noarch/seaborn-base-0.13.2-pyhd8ed1ab_3.conda + sha256: f209c9c18187570b85ec06283c72d64b8738f825b1b82178f194f4866877f8aa + md5: fd96da444e81f9e6fcaac38590f3dd42 + depends: + - matplotlib-base >=3.4,!=3.6.1 + - numpy >=1.20,!=1.24.0 + - pandas >=1.2 + - python >=3.9 + - scipy >=1.7 + constrains: + - seaborn =0.13.2=*_3 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 227843 + timestamp: 1733730112409 +- conda: https://conda.anaconda.org/conda-forge/noarch/send2trash-2.1.0-pyh5552912_1.conda + sha256: 8fc024bf1a7b99fc833b131ceef4bef8c235ad61ecb95a71a6108be2ccda63e8 + md5: b70e2d44e6aa2beb69ba64206a16e4c6 + depends: + - __osx + - pyobjc-framework-cocoa + - python >=3.10 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 22519 + timestamp: 1770937603551 +- conda: https://conda.anaconda.org/conda-forge/noarch/setuptools-84.0.0-pyh332efcf_0.conda + sha256: 9e200ee5f9ff19a4d94e4b51c4856d53dec849f91032f345cf0c6bc3d51a7183 + md5: 62ac906f1cd582c6c264c95625cb9d6f + depends: + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 524488 + timestamp: 1786282924579 +- conda: https://conda.anaconda.org/conda-forge/noarch/six-1.17.0-pyhe01879c_1.conda + sha256: 458227f759d5e3fcec5d9b7acce54e10c9e1f4f4b7ec978f3bfd54ce4ee9853d + md5: 3339e3b65d58accf4ca4fb8748ab16b3 + depends: + - python >=3.9 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 18455 + timestamp: 1753199211006 +- conda: https://conda.anaconda.org/conda-forge/noarch/sniffio-1.3.1-pyhd8ed1ab_2.conda + sha256: dce518f45e24cd03f401cb0616917773159a210c19d601c5f2d4e0e5879d30ad + md5: 03fe290994c5e4ec17293cfb6bdce520 + depends: + - python >=3.10 + license: Apache-2.0 + license_family: Apache + run_exports: {} + size: 15698 + timestamp: 1762941572482 +- conda: https://conda.anaconda.org/conda-forge/noarch/soupsieve-2.9.2-pyhd8ed1ab_0.conda + sha256: 056d7a2e91e303a9ee37e580f6dde0511fc3fb72476581cc337aacf2cc747613 + md5: ba33e6c8a46ee373fdf6dd8665212778 + depends: + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 39439 + timestamp: 1786202135509 +- conda: https://conda.anaconda.org/conda-forge/noarch/spectate-1.0.1-pyhd8ed1ab_0.tar.bz2 + sha256: 8cb681b5bfe986ef88bff649a37cfcc7c88608525e0bf12a1afe0769a3931ccf + md5: 33e8cb574899a6790ace9692e9de22d6 + depends: + - python >=3.6 + license: MIT + license_family: MIT + run_exports: {} + size: 16292 + timestamp: 1616655076957 +- conda: https://conda.anaconda.org/conda-forge/noarch/spyrmsd-0.9.0-pyhd8ed1ab_0.conda + sha256: 7893ee19a288e6203293dedbed5c8563b415baa14ffbc75e08d2a6d0655f9368 + md5: ef042e28f9ccf99a0be19656497ec772 + depends: + - numpy + - python >=3.9 + - rustworkx + - scipy + license: MIT + license_family: MIT + run_exports: {} + size: 29471 + timestamp: 1746652594386 +- conda: https://conda.anaconda.org/conda-forge/noarch/stack_data-0.6.3-pyhd8ed1ab_1.conda + sha256: 570da295d421661af487f1595045760526964f41471021056e993e73089e9c41 + md5: b1b505328da7a6b246787df4b5a49fbc + depends: + - asttokens + - executing + - pure_eval + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 26988 + timestamp: 1733569565672 +- conda: https://conda.anaconda.org/conda-forge/noarch/sympy-1.14.0-pyh2585a3b_106.conda + sha256: 1c8057e6875eba958aa8b3c1a072dc9a75d013f209c26fd8125a5ebd3abbec0c + md5: 32d866e43b25275f61566b9391ccb7b5 + depends: + - __unix + - cpython + - gmpy2 >=2.0.8 + - mpmath >=1.1.0,<1.5 + - python >=3.10 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 4661767 + timestamp: 1771952371059 +- conda: https://conda.anaconda.org/conda-forge/noarch/terminado-0.18.1-pyhc90fa1f_1.conda + sha256: 6b6727a13d1ca6a23de5e6686500d0669081a117736a87c8abf444d60c1e40eb + md5: 17b43cee5cc84969529d5d0b0309b2cb + depends: + - __unix + - ptyprocess + - python >=3.10 + - tornado >=6.1.0 + - python + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 24749 + timestamp: 1766513766867 +- conda: https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.6.0-pyhecae5ae_0.conda + sha256: 6016672e0e72c4cf23c0cf7b1986283bd86a9c17e8d319212d78d8e9ae42fdfd + md5: 9d64911b31d57ca443e9f1e36b04385f + depends: + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 23869 + timestamp: 1741878358548 +- conda: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda + sha256: 15dcf503b5c5968913e390405a4e05f618dc7a369c951006f802d99a2be9b27f + md5: 65c4a41516c0de46449e9d4b18c5c8f3 + depends: + - numpy + - python >=3.7 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 12012 + timestamp: 1689080917895 +- conda: https://conda.anaconda.org/conda-forge/noarch/tinycss2-1.4.0-pyhd8ed1ab_0.conda + sha256: cad582d6f978276522f84bd209a5ddac824742fe2d452af6acf900f8650a73a2 + md5: f1acf5fdefa8300de697982bcb1761c9 + depends: + - python >=3.5 + - webencodings >=0.4 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 28285 + timestamp: 1729802975370 +- conda: https://conda.anaconda.org/conda-forge/noarch/tinydb-4.8.2-pyhd8ed1ab_1.conda + sha256: a26c77a5a1d75e1dede0e8c176a8e5bd3a6bf0dd9743471669e54cec85a6d864 + md5: 93057ce123ddf36094f7a0bc6ae5fe76 + depends: + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 27920 + timestamp: 1734364434688 +- conda: https://conda.anaconda.org/conda-forge/noarch/tomli-2.4.1-pyhcf101f3_0.conda + sha256: 91cafdb64268e43e0e10d30bd1bef5af392e69f00edd34dfaf909f69ab2da6bd + md5: b5325cf06a000c5b14970462ff5e4d58 + depends: + - python >=3.10 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 21561 + timestamp: 1774492402955 +- conda: https://conda.anaconda.org/conda-forge/noarch/torchmetrics-1.9.0-pyhd8ed1ab_0.conda + sha256: 5ec00585734d54e3f36dc51fc9d48af19756b473391312fee38a4c287263c402 + md5: 307ddb12f595fd5910ebd5b98cb00561 + depends: + - lightning-utilities >=0.15.3 + - numpy >1.20.0 + - packaging >17.1 + - python >=3.10 + - pytorch >=2.0.0 + - setuptools + - typing_extensions + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 398600 + timestamp: 1773827733172 +- conda: https://conda.anaconda.org/conda-forge/noarch/tqdm-4.70.0-pyh8f84b5b_0.conda + sha256: a4d9e9da15b13f1ab047e7db412e2ed564bc615832e80213cf129b973c3abf4a + md5: 00953c3b729e03b0ae21f49fdf3441bb + depends: + - python >=3.10 + - __unix + - python + constrains: + - envwrap >=0.2 + - ipywidgets >=6.0 + license: MPL-2.0 and MIT + run_exports: {} + size: 98184 + timestamp: 1785172528905 +- conda: https://conda.anaconda.org/conda-forge/noarch/traitlets-5.16.1-pyhcf101f3_0.conda + sha256: 03dba5917f944c6684ab44c81daacac1624cd148e4b2cae215dcec594a210c48 + md5: a79bf97561232a31447b6246c2153ab5 + depends: + - python >=3.10 + - python + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 116935 + timestamp: 1785761789772 +- conda: https://conda.anaconda.org/conda-forge/noarch/typing-extensions-4.16.0-h69aa097_0.conda + sha256: b141933ece3518f6d7b75dfb59451e2f26b405a44c18e2518a83e9a02e09315c + md5: c680b5747e8c4c8f23dca0bb7042a8fc + depends: + - typing_extensions ==4.16.0 pyhcf101f3_0 + license: PSF-2.0 + license_family: PSF + run_exports: {} + size: 94080 + timestamp: 1783002732887 +- conda: https://conda.anaconda.org/conda-forge/noarch/typing-inspection-0.4.3-pyhcf101f3_0.conda + sha256: f9d821cb64f2bd33cff02d4969d6b8f8f299b6209abae946ac8aa92927dc217a + md5: 4934c9f5695514b925be8a5503bcd171 + depends: + - python >=3.10 + - typing_extensions >=4.15.0 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 20940 + timestamp: 1786372593154 +- conda: https://conda.anaconda.org/conda-forge/noarch/typing_extensions-4.16.0-pyhcf101f3_0.conda + sha256: 2d888f90af0686044882c74193ec80a90ec1943145d94a7b1b048958acda1848 + md5: c70ad746c22219b9700931707482992c + depends: + - python >=3.10 + - python + license: PSF-2.0 + license_family: PSF + run_exports: {} + size: 52631 + timestamp: 1783002732887 +- conda: https://conda.anaconda.org/conda-forge/noarch/typing_utils-0.1.0-pyhd8ed1ab_1.conda + sha256: 3088d5d873411a56bf988eee774559335749aed6f6c28e07bf933256afb9eb6c + md5: f6d7aa696c67756a650e91e15e88223c + depends: + - python >=3.9 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 15183 + timestamp: 1733331395943 +- conda: https://conda.anaconda.org/conda-forge/noarch/tzdata-2026c-h151e31d_0.conda + sha256: b928c30ddcb0e3f544c6eade8352737e6e610e263276b90232db6a578ef899d8 + md5: fcb489df604d100968b737f2cb6076c6 + license: LicenseRef-Public-Domain + run_exports: {} + size: 118849 + timestamp: 1784250406640 +- conda: https://conda.anaconda.org/conda-forge/noarch/uri-template-1.3.0-pyhd8ed1ab_1.conda + sha256: e0eb6c8daf892b3056f08416a96d68b0a358b7c46b99c8a50481b22631a4dfc0 + md5: e7cb0f5745e4c5035a460248334af7eb + depends: + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 23990 + timestamp: 1733323714454 +- conda: https://conda.anaconda.org/conda-forge/noarch/urllib3-2.7.0-pyhd8ed1ab_0.conda + sha256: feff959a816f7988a0893201aa9727bbb7ee1e9cec2c4f0428269b489eb93fb4 + md5: cbb88288f74dbe6ada1c6c7d0a97223e + depends: + - backports.zstd >=1.0.0 + - brotli-python >=1.2.0 + - h2 >=4,<5 + - pysocks >=1.5.6,<2.0,!=1.5.7 + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 103560 + timestamp: 1778188657149 +- conda: https://conda.anaconda.org/conda-forge/noarch/validators-0.35.0-pyhd8ed1ab_0.conda + sha256: a9cd585b86f41da98e4d67d75623916456d9df9dbd0ee27c4a722d89eb71cf13 + md5: 3449ef730c7d483adde81993994092b9 + depends: + - python >=3.9 + license: MIT + license_family: MIT + run_exports: {} + size: 40032 + timestamp: 1746267229282 +- conda: https://conda.anaconda.org/conda-forge/noarch/wcwidth-0.8.2-pyhd8ed1ab_0.conda + sha256: 4acf845da404e84cef1acccc66cc0156af1b83a5b5d7077b2ca19b705c561e57 + md5: 99f7755ec8648a042b0dbe906234f888 + depends: + - python >=3.10 + license: MIT + license_family: MIT + run_exports: {} + size: 132415 + timestamp: 1782771807703 +- conda: https://conda.anaconda.org/conda-forge/noarch/webcolors-25.10.0-pyhd8ed1ab_0.conda + sha256: 21f6c8a20fe050d09bfda3fb0a9c3493936ce7d6e1b3b5f8b01319ee46d6c6f6 + md5: 6639b6b0d8b5a284f027a2003669aa65 + depends: + - python >=3.10 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 18987 + timestamp: 1761899393153 +- conda: https://conda.anaconda.org/conda-forge/noarch/webencodings-0.5.1-pyhd8ed1ab_3.conda + sha256: 19ff205e138bb056a46f9e3839935a2e60bd1cf01c8241a5e172a422fed4f9c6 + md5: 2841eb5bfc75ce15e9a0054b98dcd64d + depends: + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 15496 + timestamp: 1733236131358 +- conda: https://conda.anaconda.org/conda-forge/noarch/websocket-client-1.9.0-pyhd8ed1ab_0.conda + sha256: 42a2b61e393e61cdf75ced1f5f324a64af25f347d16c60b14117393a98656397 + md5: 2f1ed718fcd829c184a6d4f0f2e07409 + depends: + - python >=3.10 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 61391 + timestamp: 1759928175142 +- conda: https://conda.anaconda.org/conda-forge/noarch/widgetsnbextension-4.0.15-pyhd8ed1ab_0.conda + sha256: 826af5e2c09e5e45361fa19168f46ff524e7a766022615678c3a670c45895d9a + md5: dc257b7e7cad9b79c1dfba194e92297b + depends: + - python >=3.10 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 889195 + timestamp: 1762040404362 +- conda: https://conda.anaconda.org/conda-forge/noarch/xmltodict-1.0.2-pyhcf101f3_0.conda + sha256: 5001a8b0a26810f5b8e20a05bca8cd458b0f6dcfbe00bf648aec017b1fd341f1 + md5: e91301ac8b2ad640df6165db24914332 + depends: + - python >=3.10 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 20026 + timestamp: 1758191083015 +- conda: https://conda.anaconda.org/conda-forge/noarch/zipp-4.1.0-pyhcf101f3_0.conda + sha256: 210bd31c22bb88f5e2a167df24c95bb5f152b2ada7502f9b8c49d1f5366db423 + md5: ba3dcdc8584155c97c648ae9c044b7a3 + depends: + - python >=3.10 + - python + license: MIT + license_family: MIT + run_exports: {} + size: 24190 + timestamp: 1779159948016 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/_openmp_mutex-4.5-7_kmp_llvm.conda + build_number: 7 + sha256: 7acaa2e0782cad032bdaf756b536874346ac1375745fb250e9bdd6a48a7ab3cd + md5: a44032f282e7d2acdeb1c240308052dd + depends: + - llvm-openmp >=9.0.1 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - _openmp_mutex >=4.5 + size: 8325 + timestamp: 1764092507920 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/ambertools-24.8-cuda_None_nompi_py313h1f28771_104.conda + sha256: d8b5915a60638549c1f7ffb6f63cc7d2080fbee4836e34e0dadca3e33efe9946 + md5: 71969bcbcffe5411c684433a9e754e6f + depends: + - __osx >=11.0 + - arpack >=3.9.1,<3.10.0a0 nompi_* + - bzip2 >=1.0.8,<2.0a0 + - fftw >=3.3.11,<4.0a0 + - joblib + - libblas >=3.9.0,<4.0a0 + - libboost >=1.86.0,<1.87.0a0 + - libcxx >=19 + - libgfortran + - libgfortran5 >=14.3.0 + - liblapack >=3.9.0,<4.0a0 + - libnetcdf >=4.10.1,<4.10.2.0a0 + - libzlib >=1.3.2,<2.0a0 + - llvm-openmp >=19.1.7 + - matplotlib-base + - netcdf-fortran >=4.6.3,<4.7.0a0 + - numpy >=1.25,<3 + - openssl >=3.5.7,<4.0a0 + - parmed >=4.0.0,<5.0.0a0 + - perl + - python >=3.13,<3.14.0a0 + - python_abi 3.13.* *_cp313 + - readline >=8.3,<9.0a0 + - scipy + - setuptools + - xorg-libx11 >=1.8.13,<2.0a0 + - xorg-libxext >=1.3.7,<2.0a0 + - xorg-libxt >=1.3.1,<2.0a0 + constrains: + - ambermini ==9999999999 + - packmol ==9999999999 + license: GPL-3.0-or-later AND LGPL-3.0-or-later AND BSD-3-Clause AND MIT + run_exports: {} + size: 94776521 + timestamp: 1783954967998 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/argon2-cffi-bindings-25.1.0-py313h6535dbc_2.conda + sha256: 05ea6fa7109235cfb4fc24526bae1fe82d88bbb5e697ab3945c313f5f041af5b + md5: e23e087109b2096db4cf9a3985bab329 + depends: + - __osx >=11.0 + - cffi >=1.0.1 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: MIT + license_family: MIT + run_exports: {} + size: 33947 + timestamp: 1762510144907 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/arpack-3.9.1-nompi_h1f29f7c_102.conda + sha256: 314fb780a811d1bcd31b34266016d1d49e754e37a476f8b18d8ea81599865444 + md5: 7da333ca69131caf002baf360f5de7f9 + depends: + - __osx >=11.0 + - libblas >=3.9.0,<4.0a0 + - libcxx >=18 + - libgfortran >=5 + - libgfortran5 >=13.2.0 + - liblapack >=3.9.0,<4.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - arpack >=3.9.1,<3.10.0a0 nompi_* + size: 120348 + timestamp: 1736084183877 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/atk-1.0-2.38.0-hd03087b_2.conda + sha256: b0747f9b1bc03d1932b4d8c586f39a35ac97e7e72fe6e63f2b2a2472d466f3c1 + md5: 57301986d02d30d6805fdce6c99074ee + depends: + - __osx >=11.0 + - libcxx >=16 + - libglib >=2.80.0,<3.0a0 + - libintl >=0.22.5,<1.0a0 + constrains: + - atk-1.0 2.38.0 + license: LGPL-2.0-or-later + license_family: LGPL + run_exports: + weak: + - atk-1.0 >=2.38.0 + size: 347530 + timestamp: 1713896411580 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/backports.zstd-1.6.0-py313h7208f8c_0.conda + sha256: 4d39bf744249f60212a728369dbc6cd6ec4d5aef6668a14321f747d7eb4bac2d + md5: 6ab3d07883ad437c12a8f5fd90c1df5b + depends: + - python + - __osx >=11.0 + - zstd >=1.5.7,<1.6.0a0 + - python_abi 3.13.* *_cp313 + license: BSD-3-Clause AND MIT AND EPL-2.0 + run_exports: {} + size: 243873 + timestamp: 1781450811773 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.6-h7dd00d9_1.conda + sha256: c3fe902114b9a3ac837e1a32408cc2142c147ec054c1038d37aec6814343f48a + md5: 925acfb50a750aa178f7a0aced77f351 + depends: + - __osx >=11.0 + - libcxx >=18 + - libzlib >=1.3.1,<2.0a0 + - lz4-c >=1.10.0,<1.11.0a0 + - snappy >=1.2.1,<1.3.0a0 + - zstd >=1.5.6,<1.6.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - blosc >=1.21.6,<2.0a0 + size: 33602 + timestamp: 1733513285902 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/brotli-1.2.0-h7d5ae5b_1.conda + sha256: 422ac5c91f8ef07017c594d9135b7ae068157393d2a119b1908c7e350938579d + md5: 48ece20aa479be6ac9a284772827d00c + depends: + - __osx >=11.0 + - brotli-bin 1.2.0 hc919400_1 + - libbrotlidec 1.2.0 hc919400_1 + - libbrotlienc 1.2.0 hc919400_1 + license: MIT + license_family: MIT + run_exports: + weak: + - libbrotlicommon >=1.2.0,<1.3.0a0 + - libbrotlienc >=1.2.0,<1.3.0a0 + - libbrotlidec >=1.2.0,<1.3.0a0 + size: 20237 + timestamp: 1764018058424 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/brotli-bin-1.2.0-hc919400_1.conda + sha256: e2d142052a83ff2e8eab3fe68b9079cad80d109696dc063a3f92275802341640 + md5: 377d015c103ad7f3371be1777f8b584c + depends: + - __osx >=11.0 + - libbrotlidec 1.2.0 hc919400_1 + - libbrotlienc 1.2.0 hc919400_1 + license: MIT + license_family: MIT + run_exports: {} + size: 18628 + timestamp: 1764018033635 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/brotli-python-1.2.0-py313hde1f3bb_1.conda + sha256: 2e21dccccd68bedd483300f9ab87a425645f6776e6e578e10e0dd98c946e1be9 + md5: b03732afa9f4f54634d94eb920dfb308 + depends: + - __osx >=11.0 + - libcxx >=19 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + constrains: + - libbrotlicommon 1.2.0 hc919400_1 + license: MIT + license_family: MIT + run_exports: {} + size: 359568 + timestamp: 1764018359470 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/bzip2-1.0.8-h4e30115_10.conda + sha256: 8ec22f0ba25cbfc2e64d70cf29459eccd7ffdf6436f6a6ff15bbfef799f7d4f6 + md5: b50612e7d190b8061ab4e7dc119cf4d5 + depends: + - __osx >=11.0 + license: bzip2-1.0.6 + license_family: BSD + run_exports: + weak: + - bzip2 >=1.0.8,<2.0a0 + size: 124965 + timestamp: 1785906749812 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/c-ares-1.34.8-h1a92334_1.conda + sha256: 104b41473845649101ba8ebf8221c7431256465d34ce380b10e9a90558ed33ac + md5: 7d9390a4d4b43f91652823d870f68065 + depends: + - __osx >=11.0 + constrains: + - c-ares-static <0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - c-ares >=1.34.8,<2.0a0 + size: 197274 + timestamp: 1786116660078 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/c-blosc2-3.2.3-hf9886e1_0.conda + sha256: 3cfcfabdf337e7e152ec8ad1e1bbfae15919a1b6c37fc28af2e6d0288ac2d88a + md5: 061d37b39e269f541303c05bfa4ae166 + depends: + - __osx >=11.0 + - libcxx >=19 + - lz4-c >=1.10.0,<1.11.0a0 + - zlib-ng >=2.3.3,<2.4.0a0 + - zstd >=1.5.7,<1.6.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - c-blosc2 >=3.2.3,<3.3.0a0 + size: 291985 + timestamp: 1784174620114 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/cairo-1.18.4-he0f2337_1.conda + sha256: cde9b79ee206fe3ba6ca2dc5906593fb7a1350515f85b2a1135a4ce8ec1539e3 + md5: 36200ecfbbfbcb82063c87725434161f + depends: + - __osx >=11.0 + - fontconfig >=2.15.0,<3.0a0 + - fonts-conda-ecosystem + - icu >=78.1,<79.0a0 + - libcxx >=19 + - libexpat >=2.7.3,<3.0a0 + - libfreetype >=2.14.1 + - libfreetype6 >=2.14.1 + - libglib >=2.86.3,<3.0a0 + - libpng >=1.6.53,<1.7.0a0 + - libzlib >=1.3.1,<2.0a0 + - pixman >=0.46.4,<1.0a0 + license: LGPL-2.1-only or MPL-1.1 + run_exports: + weak: + - cairo >=1.18.4,<2.0a0 + size: 900035 + timestamp: 1766416416791 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/cffi-1.17.1-py313hc845a76_0.conda + sha256: 50650dfa70ccf12b9c4a117d7ef0b41895815bb7328d830d667a6ba3525b60e8 + md5: 6d24d5587a8615db33c961a4ca0a8034 + depends: + - __osx >=11.0 + - libffi >=3.4,<4.0a0 + - pycparser + - python >=3.13.0rc1,<3.14.0a0 + - python >=3.13.0rc1,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: MIT + license_family: MIT + run_exports: {} + size: 282115 + timestamp: 1725560759157 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/cftime-1.6.5-py313hf5115c3_1.conda + sha256: 6fec83f36746b5977283d0433224fe50a9fa85dac81036912dba3ceef36cf834 + md5: 1e6565956ac1d659613807c28e103350 + depends: + - __osx >=11.0 + - numpy >=1.21.2 + - numpy >=1.23,<3 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: MIT + license_family: MIT + run_exports: {} + size: 388560 + timestamp: 1768511482468 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/contourpy-1.3.3-py313h2af2deb_4.conda + sha256: 6320cd6c16fdcf25efa493f9a2c54b2687911967a5e90544d599c535535387e9 + md5: afd3e394d14e627be0de6e8ee3553dae + depends: + - numpy >=1.25 + - python + - libcxx >=19 + - __osx >=11.0 + - python 3.13.* *_cp313 + - python_abi 3.13.* *_cp313 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 286789 + timestamp: 1769156187387 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/cyrus-sasl-2.1.28-hb961e35_1.conda + sha256: 2bb1a8cfc2534b05718c21ffacd806c5c3d5289c9e8be12270d9fc5606c859bf + md5: 784c64a42b083798c5acd2373df5b825 + depends: + - __osx >=11.0 + - krb5 >=1.22.2,<1.23.0a0 + - libcxx >=19 + - libntlm >=1.8,<2.0a0 + - openssl >=3.5.5,<4.0a0 + license: BSD-3-Clause-Attribution + license_family: BSD + run_exports: + weak: + - cyrus-sasl >=2.1.28,<3.0a0 + size: 194397 + timestamp: 1771943557428 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/debugpy-1.8.21-py313h1188861_0.conda + sha256: 603ed94c0c45089b4c93f04b00444322b7e154a7cf73135c8e494b0e4eefc4d9 + md5: 7d6048d219ebf46e96d44c077eb8cb44 + depends: + - python + - python 3.13.* *_cp313 + - libcxx >=19 + - __osx >=11.0 + - python_abi 3.13.* *_cp313 + license: MIT + license_family: MIT + run_exports: {} + size: 2754468 + timestamp: 1780390249891 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/eigen-abi-3.4.0.100-h485a483_2.conda + sha256: 531bf7dc64b36db0b3b6ba1a9f6ec378fb68478580d93773a7795828a6a2196e + md5: 3a0f17ee5033f14086eff2ff53ad1ba5 + constrains: + - eigen >=3.4.0,<3.4.1.0a0 + license: MPL-2.0 + license_family: MOZILLA + run_exports: {} + size: 13168 + timestamp: 1771922356515 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/epoxy-1.5.10-hc919400_2.conda + sha256: ba685b87529c95a4bf9de140a33d703d57dc46b036e9586ed26890de65c1c0d5 + md5: 3b87dabebe54c6d66a07b97b53ac5874 + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: + weak: + - epoxy >=1.5.10,<1.6.0a0 + size: 296347 + timestamp: 1758743805063 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/fftw-3.3.11-nompi_haf1500d_100.conda + sha256: fc6c507d7c68db156d6c8c5f6a79ca6b34c2a4c0c6222d8d4ecd0e4b97d3fd5e + md5: 58628fdc0c614982f1dafd2116916288 + depends: + - __osx >=11.0 + - libcxx >=19 + - libgfortran + - libgfortran5 >=14.3.0 + - llvm-openmp >=19.1.7 + license: GPL-2.0-or-later + license_family: GPL + run_exports: + weak: + - fftw >=3.3.11,<4.0a0 + size: 746873 + timestamp: 1776782373231 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/flatbuffers-25.9.23-h9e8ef45_0.conda + sha256: b8f4ce2919f2542c6688af909c18f9672b2a19efdb57118c5f415dd5ff0fb3cd + md5: 1d6e0829bc8d6907fae9a81f169414ce + depends: + - __osx >=11.0 + - libcxx >=19 + license: Apache-2.0 + license_family: APACHE + run_exports: + weak: + - flatbuffers >=25.9.23,<25.9.24.0a0 + size: 1299156 + timestamp: 1761143339517 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/fmt-12.1.0-h99e4e11_1.conda + sha256: ca42427b99ff92228e907bed5f10a1df868180997571d29c230faad2c38e35fd + md5: 891b1202d7b835f215e26a4db685ec7c + depends: + - __osx >=11.0 + - libcxx >=19 + license: MIT + license_family: MIT + run_exports: + weak: + - fmt >=12.1.0,<12.2.0a0 + size: 181008 + timestamp: 1785915450316 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/fontconfig-2.18.3-h2b252f5_0.conda + sha256: 6ec1937b910b2ac468459c2f7844b7c98238ada39ede05461dbd4dc764e519a5 + md5: d718960dea5abf5b582fe8ecf363c11d + depends: + - __osx >=11.0 + - libexpat >=2.8.1,<3.0a0 + - libfreetype >=2.14.3 + - libfreetype6 >=2.14.3 + - libintl >=0.25.1,<1.0a0 + - libzlib >=1.3.2,<2.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - fontconfig >=2.18.3,<3.0a0 + - fonts-conda-ecosystem + size: 267950 + timestamp: 1786381516923 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/fonttools-4.63.0-py313h65a2061_0.conda + sha256: 7ee6adb0d2c9c5c8d5674736efd46c10b6902b31f95853c606cf86b3928b39cc + md5: 1b8cb9d51771e5399df1a2859e512134 + depends: + - __osx >=11.0 + - brotli + - munkres + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: MIT + license_family: MIT + run_exports: {} + size: 2983026 + timestamp: 1778770717031 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/freetype-2.14.3-hce30654_1.conda + sha256: 96b33f1e2a32c602b167f43719e3acf89ec742b4a1e25e99ffd0e6f99b38d277 + md5: 7bd06ab4ed807154c2d9031eb5ebf025 + depends: + - libfreetype 2.14.3 hce30654_1 + - libfreetype6 2.14.3 hdfa99f5_1 + license: GPL-2.0-only OR FTL + run_exports: + weak: + - libfreetype >=2.14.3 + - libfreetype6 >=2.14.3 + size: 173518 + timestamp: 1780933616544 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/fribidi-1.0.16-h84a0fba_1.conda + sha256: 6dd18694340b84290bb1906cc1359502b974aada6a8476cfe6dec3ce0e860af8 + md5: 2bb7d7dd91116b8c85e805b0e08cc67b + depends: + - __osx >=11.0 + license: LGPL-2.1-or-later + run_exports: + weak: + - fribidi >=1.0.16,<2.0a0 + size: 60230 + timestamp: 1785912572097 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/gdk-pixbuf-2.44.7-h4e57454_0.conda + sha256: 69bb2e62a93f6407c9e9ccd4d21fe4d4e5373d64eecd6c5df318144ca4c80953 + md5: f717a22e13a1499c9552ffff02d22d64 + depends: + - __osx >=11.0 + - libglib >=2.88.2,<3.0a0 + - libintl >=0.25.1,<1.0a0 + - libjpeg-turbo >=3.1.4.1,<4.0a0 + - liblzma >=5.8.3,<6.0a0 + - libpng >=1.6.58,<1.7.0a0 + - libtiff >=4.7.1,<4.8.0a0 + license: LGPL-2.1-or-later + license_family: LGPL + run_exports: + weak: + - gdk-pixbuf >=2.44.7,<3.0a0 + size: 553902 + timestamp: 1782591436963 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/glib-tools-2.88.3-hd03a632_1.conda + sha256: 200aec53216f3323b2072fb994b10fbee018ff3b894162a37222f1f316c3e476 + md5: 842c53118ef3b15433627ee2c384c203 + depends: + - libglib ==2.88.3 ha531971_1 + - libffi + - __osx >=11.0 + - libintl >=0.25.1,<1.0a0 + license: LGPL-2.1-or-later + run_exports: {} + size: 204965 + timestamp: 1786457780347 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/gmp-6.3.0-h7bae524_2.conda + sha256: 76e222e072d61c840f64a44e0580c2503562b009090f55aa45053bf1ccb385dd + md5: eed7278dfbab727b56f2c0b64330814b + depends: + - __osx >=11.0 + - libcxx >=16 + license: GPL-2.0-or-later OR LGPL-3.0-or-later + run_exports: + weak: + - gmp >=6.3.0,<7.0a0 + size: 365188 + timestamp: 1718981343258 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/gmpy2-2.3.0-py313h8b87f87_1.conda + sha256: 451f0d2a87554c1d81198773ff92ec555f7c00a52f006ae07fc4241875ca55ca + md5: 6a69d87e99c0a36f6654c9774c00ba28 + depends: + - __osx >=11.0 + - gmp >=6.3.0,<7.0a0 + - mpc >=1.3.1,<2.0a0 + - mpfr >=4.2.1,<5.0a0 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: LGPL-3.0-or-later + license_family: LGPL + run_exports: {} + size: 195032 + timestamp: 1773245561627 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/graphite2-1.3.15-h784d473_1.conda + sha256: 471f34a187fdb4f2df33e26f2e471b16c239a5b277903f643d9c3a8c9a9f44ec + md5: 0c7b78d9ffff4f5a6ca28d346f734d8f + depends: + - libcxx >=19 + - __osx >=11.0 + license: LGPL-2.0-or-later + license_family: LGPL + run_exports: + weak: + - graphite2 >=1.3.15,<2.0a0 + size: 86493 + timestamp: 1786118637573 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/graphviz-14.1.2-hec8c438_0.conda + sha256: 755c72d469330265f80a615912a3b522aef6f26cbc52763862b6a3c492fbf97c + md5: 1f3d859de3ca2bcaa845e92e87d73660 + depends: + - __osx >=11.0 + - adwaita-icon-theme + - cairo >=1.18.4,<2.0a0 + - fonts-conda-ecosystem + - gdk-pixbuf >=2.44.4,<3.0a0 + - gtk3 >=3.24.43,<4.0a0 + - gts >=0.7.6,<0.8.0a0 + - libcxx >=19 + - libexpat >=2.7.3,<3.0a0 + - libgd >=2.3.3,<2.4.0a0 + - libglib >=2.86.3,<3.0a0 + - librsvg >=2.60.0,<3.0a0 + - libwebp-base >=1.6.0,<2.0a0 + - libzlib >=1.3.1,<2.0a0 + - pango >=1.56.4,<2.0a0 + license: EPL-1.0 + license_family: Other + run_exports: + weak: + - graphviz >=14.1.2,<15.0a0 + size: 2218284 + timestamp: 1769427599940 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/greenlet-3.5.5-py313h1188861_0.conda + sha256: 4be931a32e7da6b30f646ad5477d4849ea0e0ccc666c9bb5cb2130bba451f0d5 + md5: a4c8668a663cfb30970c8e83e2979c35 + depends: + - python + - python 3.13.* *_cp313 + - __osx >=11.0 + - libcxx >=19 + - python_abi 3.13.* *_cp313 + license: MIT + license_family: MIT + run_exports: {} + size: 272799 + timestamp: 1786384260642 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/gsd-5.0.1-hfb0bdc6_1.conda + noarch: python + sha256: 15be3f85bca6a6f480a6fd475e67dcdb915dca09ab154a3d1c7278aef40916ea + md5: 81f01ac41d6aa537163ac19088f6ae5e + depends: + - python + - __osx >=11.0 + - numpy >=1.23,<3 + - _python_abi3_support 1.* + - cpython >=3.11 + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 229128 + timestamp: 1780578233749 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/gtk3-3.24.52-hc0f3e19_0.conda + sha256: 26862a9898054b8552e55e609e5ce73c7ef1eb28bbe6fb87f0b9109d73cd09df + md5: 5557a2433b1339b8e536c264afea41ef + depends: + - __osx >=11.0 + - atk-1.0 >=2.38.0 + - cairo >=1.18.4,<2.0a0 + - epoxy >=1.5.10,<1.6.0a0 + - fribidi >=1.0.16,<2.0a0 + - gdk-pixbuf >=2.44.5,<3.0a0 + - glib-tools + - harfbuzz >=13.2.1 + - hicolor-icon-theme + - libexpat >=2.7.4,<3.0a0 + - libfreetype >=2.14.2 + - libfreetype6 >=2.14.2 + - libglib >=2.86.4,<3.0a0 + - libintl >=0.25.1,<1.0a0 + - liblzma >=5.8.2,<6.0a0 + - libzlib >=1.3.2,<2.0a0 + - pango >=1.56.4,<2.0a0 + license: LGPL-2.0-or-later + license_family: LGPL + run_exports: + weak: + - gtk3 >=3.24.52,<4.0a0 + - adwaita-icon-theme + size: 9385734 + timestamp: 1774288504338 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/gts-0.7.6-he42f4ea_4.conda + sha256: e0f8c7bc1b9ea62ded78ffa848e37771eeaaaf55b3146580513c7266862043ba + md5: 21b4dd3098f63a74cf2aa9159cbef57d + depends: + - libcxx >=15.0.7 + - libglib >=2.76.3,<3.0a0 + license: LGPL-2.0-or-later + license_family: LGPL + run_exports: + weak: + - gts >=0.7.6,<0.8.0a0 + size: 304331 + timestamp: 1686545503242 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/h5py-3.16.0-nompi_py313hc6ee213_102.conda + sha256: ec38d68d23ac769156f7569ca97bf1ab792ffaa952fb976fba1f4be37d35e5b2 + md5: a2a20614663904c625a76907aa0a394d + depends: + - __osx >=11.0 + - cached-property + - hdf5 >=1.14.6,<1.14.7.0a0 + - numpy >=1.23,<3 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 1193209 + timestamp: 1775582328126 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/harfbuzz-14.3.0-hce30654_0.conda + sha256: 67042b0e8896f707c60981947ae22fe0c13942283c8d7ac9b8286cc01cc1c2d2 + md5: aab13bb027c8295f5b09ccb8cd084698 + depends: + - libharfbuzz-devel 14.3.0 h5a65909_0 + license: MIT + license_family: MIT + run_exports: + weak: + - libharfbuzz >=14.3.0 + size: 11005 + timestamp: 1785770060418 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/hdf4-4.2.15-h2ee6834_7.conda + sha256: c3b01e3c3fe4ca1c4d28c287eaa5168a4f2fd3ffd76690082ac919244c22fa90 + md5: ff5d749fd711dc7759e127db38005924 + depends: + - libcxx >=15.0.7 + - libjpeg-turbo >=3.0.0,<4.0a0 + - libzlib >=1.2.13,<2.0.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - hdf4 >=4.2.15,<4.2.16.0a0 + size: 762257 + timestamp: 1695661864625 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/hdf5-1.14.6-nompi_had3affe_110.conda + sha256: 6964fee3d3a4a59c85d2589eb5e8c8bff7dde9721854f493cc7b9aca5cd7d4be + md5: 65797138355b90a8e219afcf7e77b273 + depends: + - __osx >=11.0 + - libaec >=1.1.5,<2.0a0 + - libcurl >=8.20.0,<9.0a0 + - libcxx >=19 + - libgfortran + - libgfortran5 >=14.3.0 + - libzlib >=1.3.2,<2.0a0 + - openssl >=3.5.6,<4.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - hdf5 >=1.14.6,<1.14.7.0a0 + size: 3290207 + timestamp: 1780581564967 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/hicolor-icon-theme-0.17-hce30654_3.conda + sha256: 46a4958f2f916c5938f2a6dc0709f78b175ece42f601d79a04e0276d55d25d07 + md5: cfb39109ac5fa8601eb595d66d5bf156 + license: GPL-2.0-or-later + license_family: GPL + run_exports: {} + size: 17616 + timestamp: 1771539622983 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/icu-78.3-hc7cc350_2.conda + sha256: f0b22bc30e4cc29e29ba3234cb38497fe8def2c2aae4b775d42fe5b378a018c9 + md5: 6133ddbb17ba2b50700dd88e9303ce27 + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: + weak: + - icu >=78.3,<79.0a0 + size: 14070698 + timestamp: 1784916459058 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/jaxlib-0.10.2-cpu_py313hd8c01bf_0.conda + sha256: fe02c3525d21520b589bc45d60cb714e0107264f75ad2be87994db8dc7621f9f + md5: 8dbe3487646a1deb19f89386964d40b4 + depends: + - python + - scipy >=1.9 + - ml_dtypes >=0.2.0 + - libcxx >=20 + - __osx >=11.0 + - openssl >=3.5.7,<4.0a0 + - flatbuffers >=25.9.23,<25.9.24.0a0 + - libzlib >=1.3.2,<2.0a0 + - libgrpc >=1.78.1,<1.79.0a0 + - libre2-11 >=2025.11.5 + - re2 + - libabseil >=20260107.1,<20260108.0a0 + - libabseil * cxx17* + - python_abi 3.13.* *_cp313 + - numpy >=1.25,<3 + constrains: + - jax >=0.10.2 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 77301770 + timestamp: 1783084348854 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/jq-1.8.2-h1a92334_1.conda + sha256: 2d345464da308424f15322fb848b0f845291fdf2383f709866e94825d722f550 + md5: be1ad8bb4f91519d2a3eb2bcb6d9bc0b + depends: + - oniguruma 6.9.* + - __osx >=11.0 + - oniguruma >=6.9.10,<6.10.0a0 + license: MIT + run_exports: {} + size: 350634 + timestamp: 1786434970720 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/khronos-opencl-icd-loader-2024.10.24-h5505292_1.conda + sha256: 74abb94591a42b0986b864cdd1c3b5b2e6e6b6851d5b8d0ecbe038fc14f036be + md5: fb5a6baf5df9abc027955a408c61ac74 + depends: + - __osx >=11.0 + - opencl-headers >=2024.10.24 + license: Apache-2.0 + license_family: APACHE + run_exports: + weak: + - khronos-opencl-icd-loader >=2024.10.24 + size: 35128 + timestamp: 1732916821283 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/kiwisolver-1.5.0-py313h2af2deb_0.conda + sha256: b0ac975a7eb40638b1405c8092835c47222ce758eb26114afee50a8d1ce98569 + md5: bd1e04d017f340e42431706402db8b02 + depends: + - python + - python 3.13.* *_cp313 + - libcxx >=19 + - __osx >=11.0 + - python_abi 3.13.* *_cp313 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 69457 + timestamp: 1773067363162 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/krb5-1.22.2-hfd3d5f3_1.conda + sha256: c740e4a2e7247776a9883158fdab50ae0732c8f67f96d8f1db8ad9da5e0b5222 + md5: 8780f41b013d19219faef9c82260744b + depends: + - __osx >=11.0 + - libcxx >=19 + - libedit >=3.1.20250104,<3.2.0a0 + - libedit >=3.1.20250104,<4.0a0 + - openssl >=3.5.7,<4.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - krb5 >=1.22.2,<1.23.0a0 + size: 1159780 + timestamp: 1781859501654 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/lcms2-2.19.1-hdfa7624_1.conda + sha256: ccb5598fad3694e79bf54f0eb812e3b3c3dd63d1497e631f5978800eadb9bcc4 + md5: d2f2c7c10e2957647d45589b7701a453 + depends: + - __osx >=11.0 + - libjpeg-turbo >=3.1.4.1,<4.0a0 + - libtiff >=4.7.1,<4.8.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - lcms2 >=2.19.1,<3.0a0 + size: 213747 + timestamp: 1780212240694 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/lerc-4.2.0-h1eee2c3_0.conda + sha256: c97aa17d16d2ac332ba9f184e82ce8f72dcb10e9a10c5f299030be2d44e191b9 + md5: e429aec4037d5cb8fd34ded9f5dadd39 + depends: + - __osx >=11.0 + - libcxx >=19 + license: Apache-2.0 + license_family: Apache + run_exports: + weak: + - lerc >=4.2.0,<5.0a0 + size: 166477 + timestamp: 1785036480092 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libabseil-20260107.1-cxx17_h2062a1b_0.conda + sha256: 756611fbb8d2957a5b4635d9772bd8432cb6ddac05580a6284cca6fdc9b07fca + md5: bb65152e0d7c7178c0f1ee25692c9fd1 + depends: + - __osx >=11.0 + - libcxx >=19 + constrains: + - abseil-cpp =20260107.1 + - libabseil-static =20260107.1=cxx17* + license: Apache-2.0 + license_family: Apache + run_exports: + weak: + - libabseil >=20260107.1,<20260108.0a0 + - libabseil =*=cxx17* + size: 1229639 + timestamp: 1770863511331 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libaec-1.1.5-h8664d51_0.conda + sha256: af9cd8db11eb719e38a3340c88bb4882cf19b5b4237d93845224489fc2a13b46 + md5: 13e6d9ae0efbc9d2e9a01a91f4372b41 + depends: + - __osx >=11.0 + - libcxx >=19 + license: BSD-2-Clause + license_family: BSD + run_exports: + weak: + - libaec >=1.1.5,<2.0a0 + size: 30390 + timestamp: 1769222133373 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libblas-3.11.0-9_h51639a9_openblas.conda + build_number: 9 + sha256: 0437866fe43b4c911470d3e7ddea18d78390bd7062d9563ce6d38c8ba5798405 + md5: cb1f85be9d88af453fcda3dfba995099 + depends: + - libopenblas >=0.3.34,<0.3.35.0a0 + - libopenblas >=0.3.34,<1.0a0 + constrains: + - blas 2.309 openblas + - libcblas 3.11.0 9*_openblas + - liblapack 3.11.0 9*_openblas + - liblapacke 3.11.0 9*_openblas + - mkl <2027 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - libblas >=3.11.0,<4.0a0 + size: 18162 + timestamp: 1786058887392 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libboost-1.86.0-h0419b56_5.conda + sha256: e5852889261db409a720c2c6a30930e0615c320184874b862c2f3141332ae701 + md5: 0b2bb618d1c6e4a43fc2a13f128f55a0 + depends: + - __osx >=11.0 + - bzip2 >=1.0.8,<2.0a0 + - icu >=78.1,<79.0a0 + - libcxx >=19 + - liblzma >=5.8.1,<6.0a0 + - libzlib >=1.3.1,<2.0a0 + - zstd >=1.5.7,<1.6.0a0 + constrains: + - boost-cpp <0.0a0 + license: BSL-1.0 + run_exports: {} + size: 1991540 + timestamp: 1766349001066 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libboost-python-1.86.0-py313h4847772_5.conda + sha256: 181fad04c4e4b979924c4c28e51412403a68fd9bfa1beac2bc4c28710c589344 + md5: 3baa321cdb8f57b94a0f9b091b30846a + depends: + - __osx >=11.0 + - libcxx >=19 + - numpy >=1.23,<3 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + constrains: + - boost <0.0a0 + - py-boost <0.0a0 + license: BSL-1.0 + run_exports: {} + size: 104755 + timestamp: 1766349556886 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libbrotlicommon-1.2.0-hc919400_1.conda + sha256: a7cb9e660531cf6fbd4148cff608c85738d0b76f0975c5fc3e7d5e92840b7229 + md5: 006e7ddd8a110771134fcc4e1e3a6ffa + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: + weak: + - libbrotlicommon >=1.2.0,<1.3.0a0 + size: 79443 + timestamp: 1764017945924 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libbrotlidec-1.2.0-hc919400_1.conda + sha256: 2eae444039826db0454b19b52a3390f63bfe24f6b3e63089778dd5a5bf48b6bf + md5: 079e88933963f3f149054eec2c487bc2 + depends: + - __osx >=11.0 + - libbrotlicommon 1.2.0 hc919400_1 + license: MIT + license_family: MIT + run_exports: + weak: + - libbrotlidec >=1.2.0,<1.3.0a0 + size: 29452 + timestamp: 1764017979099 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libbrotlienc-1.2.0-hc919400_1.conda + sha256: 01436c32bb41f9cb4bcf07dda647ce4e5deb8307abfc3abdc8da5317db8189d1 + md5: b2b7c8288ca1a2d71ff97a8e6a1e8883 + depends: + - __osx >=11.0 + - libbrotlicommon 1.2.0 hc919400_1 + license: MIT + license_family: MIT + run_exports: + weak: + - libbrotlienc >=1.2.0,<1.3.0a0 + size: 290754 + timestamp: 1764018009077 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libcblas-3.11.0-9_hb0561ab_openblas.conda + build_number: 9 + sha256: c4c71f20fdb20c86bf6f61c8c31bb349e4055bb4d19928e8580bb5615039cb4b + md5: a7b6ba94e3ca58bc7d4e1ae4ff95c215 + depends: + - libblas 3.11.0 9_h51639a9_openblas + constrains: + - blas 2.309 openblas + - liblapack 3.11.0 9*_openblas + - liblapacke 3.11.0 9*_openblas + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - libcblas >=3.11.0,<4.0a0 + size: 18110 + timestamp: 1786058893756 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libcurl-8.21.0-hf618e03_4.conda + sha256: d25be36712d7f854a5f93513b9fbf1b0ee3219975b7fef4a3ee071b021b10167 + md5: 66cf9c5003ee81ecdb0dc9f9df17bbe5 + depends: + - __osx >=11.0 + - krb5 >=1.22.2,<1.23.0a0 + - libnghttp2 >=1.68.1,<2.0a0 + - libpsl >=0.23.0,<0.24.0a0 + - libssh2 >=1.11.1,<2.0a0 + - libzlib >=1.3.2,<2.0a0 + - openssl >=3.5.7,<4.0a0 + - zstd >=1.5.7,<1.6.0a0 + license: curl + license_family: MIT + run_exports: + weak: + - libcurl >=8.21.0,<9.0a0 + size: 411491 + timestamp: 1785500129743 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libcxx-22.1.8-h55c6f16_0.conda + sha256: a2e7abab5add9750fab064c024394de48e49f97631c605ad5db5c8ac3fc769ef + md5: 89f76a2a21a3ec3ec983b5eb237c4113 + depends: + - __osx >=11.0 + license: Apache-2.0 WITH LLVM-exception + license_family: Apache + run_exports: {} + size: 569349 + timestamp: 1781670209146 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libdeflate-1.25-he7e0567_1.conda + sha256: d896f4aa4ce4c590c2838678cb1917356fdb461d2a189991c0280c818c362172 + md5: 78650d671cb56909bb3e5c13bce310f9 + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: + weak: + - libdeflate >=1.25,<1.26.0a0 + size: 55727 + timestamp: 1785909153744 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libedit-3.1.20250104-pl5321hafb1f1b_0.conda + sha256: 66aa216a403de0bb0c1340a88d1a06adaff66bae2cfd196731aa24db9859d631 + md5: 44083d2d2c2025afca315c7a172eab2b + depends: + - ncurses + - __osx >=11.0 + - ncurses >=6.5,<7.0a0 + license: BSD-2-Clause + license_family: BSD + run_exports: + weak: + - libedit >=3.1.20250104,<3.2.0a0 + size: 107691 + timestamp: 1738479560845 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libev-4.33-h1a92334_3.conda + sha256: c0100064506ae8abb432c5a506d474f10af2cf48c33d62bc221fb28b6d6ff6ac + md5: 19e86c8a6a47e92bb2e70ca12e758c5c + depends: + - __osx >=11.0 + license: BSD-2-Clause OR GPL-2.0-or-later + license_family: GPL + run_exports: + weak: + - libev >=4.33,<4.34.0a0 + size: 39991 + timestamp: 1785917376956 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libexpat-2.8.1-hf6b4638_1.conda + sha256: 5af74261101e3c777399c6294b2b5d290e508153268eb2e9ff99c4d69834612f + md5: a915151d5d3c5bf039f5ccc8402a436f + depends: + - __osx >=11.0 + constrains: + - expat 2.8.1.* + license: MIT + license_family: MIT + run_exports: {} + size: 69362 + timestamp: 1781203631990 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libffi-3.7.0-hcf2aa1b_0.conda + sha256: 2c6ac9a6cd65af89b2bd448518bb1e13b44a2e48c0d469398e37bcfc0092e832 + md5: 92e8690d170d46d768c32553458c0105 + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: + weak: + - libffi >=3.7.0,<3.8.0a0 + size: 43734 + timestamp: 1783521647536 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libfreetype-2.14.3-hce30654_1.conda + sha256: d5637b01941c0fc8f5cbb1f170c238f4ee153b3c1708b9d50f4f1305438ff051 + md5: 0582e67cd14cfed773be2f3b1aba08e0 + depends: + - libfreetype6 >=2.14.3 + license: GPL-2.0-only OR FTL + run_exports: {} + size: 8365 + timestamp: 1780933612390 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libfreetype6-2.14.3-hdfa99f5_1.conda + sha256: abbfffd8a8c776bb8b59a10c8247fc3aa6b17ba0051e9f6d199dca38479f214f + md5: a0bb0678f67c464938d3693fa96f6884 + depends: + - __osx >=11.0 + - libpng >=1.6.58,<1.7.0a0 + - libzlib >=1.3.2,<2.0a0 + constrains: + - freetype >=2.14.3 + license: GPL-2.0-only OR FTL + run_exports: {} + size: 338442 + timestamp: 1780933611662 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgcc-16.1.0-h3cf6597_1.conda + sha256: fdd1502babb50b802d090496586231f56236d7a6fc042a4e1ac2dee48da8366b + md5: 0124dc2e6f70f3e8ebea643b42b18abb + depends: + - _openmp_mutex + constrains: + - libgomp 16.1.0 1 + - libgcc-ng ==16.1.0=*_1 + license: GPL-3.0-only WITH GCC-exception-3.1 + license_family: GPL + run_exports: {} + size: 364162 + timestamp: 1785374452947 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgd-2.3.3-h05bcc79_12.conda + sha256: 269edce527e204a80d3d05673301e0207efcd0dbeebc036a118ceb52690d6341 + md5: fa4a92cfaae9570d89700a292a9ca714 + depends: + - __osx >=11.0 + - fontconfig >=2.15.0,<3.0a0 + - fonts-conda-ecosystem + - icu >=78.1,<79.0a0 + - libexpat >=2.7.3,<3.0a0 + - libfreetype >=2.14.1 + - libfreetype6 >=2.14.1 + - libiconv >=1.18,<2.0a0 + - libjpeg-turbo >=3.1.2,<4.0a0 + - libpng >=1.6.53,<1.7.0a0 + - libtiff >=4.7.1,<4.8.0a0 + - libwebp-base >=1.6.0,<2.0a0 + - libzlib >=1.3.1,<2.0a0 + license: GD + license_family: BSD + run_exports: + weak: + - libgd >=2.3.3,<2.4.0a0 + size: 159247 + timestamp: 1766331953491 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgfortran-16.1.0-h07b0088_1.conda + sha256: d7c6dd601dbbde495ab213a76d690b2fec19455d26c595ec0257cfde3e80166b + md5: d6f10dbb9c5830f540904c91ea5b252a + depends: + - libgfortran5 16.1.0 h32cdfcc_1 + constrains: + - libgfortran-ng ==16.1.0=*_1 + license: GPL-3.0-only WITH GCC-exception-3.1 + license_family: GPL + run_exports: {} + size: 98528 + timestamp: 1785374566402 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgfortran5-16.1.0-h32cdfcc_1.conda + sha256: 3e8cb79a421e0c350566717febdba9079574cbbe204591b4fd4b4081ea89cb92 + md5: c1c10ea48f95054aa9b93c2315a0a74a + depends: + - libgcc >=16.1.0 + constrains: + - libgfortran 16.1.0 + license: GPL-3.0-only WITH GCC-exception-3.1 + license_family: GPL + run_exports: {} + size: 556657 + timestamp: 1785374459225 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libglib-2.88.3-ha531971_1.conda + sha256: c9f7273bbe06d1693ff3a2b6f8b49b74e2ef6cbac2cead7aae767f2f5191b7aa + md5: 70a6bcf13dc0dd00fe3fe91190d38771 + depends: + - __osx >=11.0 + - pcre2 >=10.47,<10.48.0a0 + - libffi >=3.7.0,<3.8.0a0 + - libintl >=0.25.1,<1.0a0 + - libiconv >=1.18,<2.0a0 + - libzlib >=1.3.2,<2.0a0 + constrains: + - glib >2.66 + license: LGPL-2.1-or-later + run_exports: + weak: + - libglib >=2.88.3,<3.0a0 + size: 4447961 + timestamp: 1786457780347 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgrpc-1.78.1-h3e3f78d_0.conda + sha256: a6e01573795484c2200e499ddffb825d24184888be6a596d4beaceebe6f8f525 + md5: 17b9e07ba9b46754a6953999a948dcf7 + depends: + - __osx >=11.0 + - c-ares >=1.34.6,<2.0a0 + - libabseil * cxx17* + - libabseil >=20260107.1,<20260108.0a0 + - libcxx >=19 + - libprotobuf >=6.33.5,<6.33.6.0a0 + - libre2-11 >=2025.11.5 + - libzlib >=1.3.1,<2.0a0 + - openssl >=3.5.5,<4.0a0 + - re2 + constrains: + - grpc-cpp =1.78.1 + license: Apache-2.0 + license_family: APACHE + run_exports: + weak: + - libgrpc >=1.78.1,<1.79.0a0 + size: 4820402 + timestamp: 1774012715207 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libharfbuzz-14.3.0-h5a65909_0.conda + sha256: 5803da482e914fc5d7ea82b31789471973b03ca58e9caffedd86e175c3aee447 + md5: 19248fa96b4c573e46bfec7fa3c875fa + depends: + - __osx >=11.0 + - cairo >=1.18.4,<2.0a0 + - graphite2 >=1.3.15,<2.0a0 + - icu >=78.3,<79.0a0 + - libcxx >=19 + - libfreetype >=2.14.3 + - libfreetype6 >=2.14.3 + - libglib >=2.88.3,<3.0a0 + - libpng >=1.6.58,<1.7.0a0 + - libzlib >=1.3.2,<2.0a0 + license: MIT + license_family: MIT + run_exports: {} + size: 942277 + timestamp: 1785770026085 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libharfbuzz-devel-14.3.0-h5a65909_0.conda + sha256: ec6822ad0101e1d627aebb04792a0a642a706ba3c12e2691a90c7c3995b09fc1 + md5: 9b9a765bb25ac591d79ced348d4dc340 + depends: + - __osx >=11.0 + - cairo >=1.18.4,<2.0a0 + - freetype + - graphite2 >=1.3.15,<2.0a0 + - icu >=78.3,<79.0a0 + - libcxx >=19 + - libfreetype >=2.14.3 + - libfreetype6 >=2.14.3 + - libglib >=2.88.3,<3.0a0 + - libharfbuzz 14.3.0 h5a65909_0 + - libpng >=1.6.58,<1.7.0a0 + - libzlib >=1.3.2,<2.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - libharfbuzz >=14.3.0 + size: 1470616 + timestamp: 1785770054858 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libiconv-1.18-h23cfdf5_2.conda + sha256: de0336e800b2af9a40bdd694b03870ac4a848161b35c8a2325704f123f185f03 + md5: 4d5a7445f0b25b6a3ddbb56e790f5251 + depends: + - __osx >=11.0 + license: LGPL-2.1-only + run_exports: + weak: + - libiconv >=1.18,<2.0a0 + size: 750379 + timestamp: 1754909073836 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libintl-0.25.1-h493aca8_0.conda + sha256: 99d2cebcd8f84961b86784451b010f5f0a795ed1c08f1e7c76fbb3c22abf021a + md5: 5103f6a6b210a3912faf8d7db516918c + depends: + - __osx >=11.0 + - libiconv >=1.18,<2.0a0 + license: LGPL-2.1-or-later + run_exports: + weak: + - libintl >=0.25.1,<1.0a0 + size: 90957 + timestamp: 1751558394144 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libjpeg-turbo-3.2.0-h84a0fba_1.conda + sha256: 05006418f9392c9b723e8428808db106de0350a497832f95f921b85ff1072310 + md5: b2f8c8e5a7651a1d7c05404c3a159517 + depends: + - __osx >=11.0 + constrains: + - jpeg <0.0.0a + license: IJG AND BSD-3-Clause AND Zlib + run_exports: + weak: + - libjpeg-turbo >=3.2.0,<4.0a0 + size: 558459 + timestamp: 1785896382474 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/liblapack-3.11.0-9_hd9741b5_openblas.conda + build_number: 9 + sha256: db09e8e6a58415da1d866221cf518e53e84c6766a4500faae716cfa204f696ff + md5: ecc87ca1e25bd94a08c82904eb4e6846 + depends: + - libblas 3.11.0 9_h51639a9_openblas + constrains: + - blas 2.309 openblas + - libcblas 3.11.0 9*_openblas + - liblapacke 3.11.0 9*_openblas + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - liblapack >=3.11.0,<3.12.0a0 + size: 18144 + timestamp: 1786058899889 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/liblzma-5.8.3-h8088a28_1.conda + sha256: 23d0630046a3e8b164d8f80f2b74ed2605af2e7050ab9913018056402fae4311 + md5: 8ab10323068b107661a4b9a4af84f3b5 + depends: + - __osx >=11.0 + constrains: + - xz 5.8.3.* + license: 0BSD + run_exports: + weak: + - liblzma >=5.8.3,<6.0a0 + size: 91720 + timestamp: 1786348695846 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libmpdec-4.0.0-h84a0fba_1.conda + sha256: 1089c7f15d5b62c622625ec6700732ece83be8b705da8c6607f4dabb0c4bd6d2 + md5: 57c4be259f5e0b99a5983799a228ae55 + depends: + - __osx >=11.0 + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 73690 + timestamp: 1769482560514 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libnetcdf-4.10.1-nompi_h12274ac_201.conda + build_number: 101 + sha256: c57dfe6c10323e981a10d4c3e7fd0379941241a5322b204e5bb05d6b0e7f5bd5 + md5: 54429ae561872188cd6e65c5d5006253 + depends: + - __osx >=11.0 + - libcxx >=19 + - libaec >=1.1.5,<2.0a0 + - libzip >=1.11.2,<2.0a0 + - libzlib >=1.3.2,<2.0a0 + - openssl >=3.5.7,<4.0a0 + - zstd >=1.5.7,<1.6.0a0 + - bzip2 >=1.0.8,<2.0a0 + - hdf4 >=4.2.15,<4.2.16.0a0 + - libcurl >=8.21.0,<9.0a0 + - libxml2 + - libxml2-16 >=2.14.6 + - blosc >=1.21.6,<2.0a0 + - hdf5 >=1.14.6,<1.14.7.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - libnetcdf >=4.10.1,<4.10.2.0a0 + size: 805108 + timestamp: 1783982083245 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libnghttp2-1.68.1-h8f3e76b_0.conda + sha256: 2bc7bc3978066f2c274ebcbf711850cc9ab92e023e433b9631958a098d11e10a + md5: 6ea18834adbc3b33df9bd9fb45eaf95b + depends: + - __osx >=11.0 + - c-ares >=1.34.6,<2.0a0 + - libcxx >=19 + - libev >=4.33,<4.34.0a0 + - libev >=4.33,<5.0a0 + - libzlib >=1.3.1,<2.0a0 + - openssl >=3.5.5,<4.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - libnghttp2 >=1.68.1,<2.0a0 + size: 576526 + timestamp: 1773854624224 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libntlm-1.8-h5505292_0.conda + sha256: ea8c680924d957e12270dca549620327d5e986f23c4bd5f45627167ca6ef7a3b + md5: c90c1d3bd778f5ec0d4bb4ef36cbd5b6 + depends: + - __osx >=11.0 + license: LGPL-2.1-or-later + run_exports: + weak: + - libntlm >=1.8,<2.0a0 + size: 31099 + timestamp: 1734670168822 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libopenblas-0.3.34-openmp_he657e61_0.conda + sha256: bcf1967f12f1b1cc769dcc77b255fb1b27aaceb2f185450e9596d137bc6ede76 + md5: 89d28fb841cf16211318524fa985e384 + depends: + - __osx >=11.0 + - libgfortran + - libgfortran5 >=14.3.0 + - llvm-openmp >=19.1.7 + constrains: + - openblas >=0.3.34,<0.3.35.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - libopenblas >=0.3.34,<1.0a0 + size: 4318474 + timestamp: 1784288246205 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libpng-1.6.58-h132b30e_0.conda + sha256: 66eae34546df1f098a67064970c92aa14ae7a7505091889e00468294d2882c36 + md5: 2259ae0949dbe20c0665850365109b27 + depends: + - __osx >=11.0 + - libzlib >=1.3.2,<2.0a0 + license: zlib-acknowledgement + run_exports: + weak: + - libpng >=1.6.58,<1.7.0a0 + size: 289546 + timestamp: 1776315246750 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libpq-18.4-ha770aab_0.conda + sha256: aed15f692ab1c050ed64e08e215b3a82f8d1efb87f6be54a052fa50292a88c82 + md5: aa54929e5de39fc4ddd538650cdc2c86 + depends: + - __osx >=11.0 + - icu >=78.3,<79.0a0 + - krb5 >=1.22.2,<1.23.0a0 + - openldap >=2.6.13,<2.7.0a0 + - openssl >=3.5.6,<4.0a0 + license: PostgreSQL + run_exports: + weak: + - libpq >=18.4,<19.0a0 + size: 2626441 + timestamp: 1778787920554 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libprotobuf-6.33.5-hb82ec63_2.conda + sha256: 619d06e4cd3f2501c7cfce3b64739726609da79cc000f66090b753a6f4ed472c + md5: fa6df7c5daaa2c0f22da8c742da223ec + depends: + - __osx >=11.0 + - libabseil * cxx17* + - libabseil >=20260107.1,<20260108.0a0 + - libcxx >=19 + - libzlib >=1.3.2,<2.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - libprotobuf >=6.33.5,<6.33.6.0a0 + size: 2811893 + timestamp: 1783168732425 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libpsl-0.23.1-h7a62e17_0.conda + sha256: 0140cb0d059ac531e476b85a543668b69b7dffec16f0d26269ab6c9b70546921 + md5: 75a4cdf128d016141db61732ea462276 + depends: + - __osx >=11.0 + - libcxx >=19 + - icu >=78.3,<79.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - libpsl >=0.23.1,<0.24.0a0 + size: 72950 + timestamp: 1786443660105 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libraqm-0.11.0-h45af499_0.conda + sha256: b110f7f9b2cec61ea793c521950414e00cd64826e18aeb4ab40369acf05c0039 + md5: 46ea0eb4e71bffa35ab7070678bcb053 + depends: + - __osx >=11.0 + - libfreetype >=2.14.3 + - libfreetype6 >=2.14.3 + - libharfbuzz >=14.2.1 + - fribidi >=1.0.16,<2.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - libraqm >=0.11.0,<0.12.0a0 + size: 31333 + timestamp: 1784850348342 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/librdkit-2025.09.6-h5803ea0_1.conda + sha256: 7889b10150cb4cb034034238af37768e5fb865361dd39fe91bb013ed1b0dc292 + md5: 1127439e141ec5194fdd3f80f36cf497 + depends: + - __osx >=11.0 + - cairo >=1.18.4,<2.0a0 + - eigen-abi >=3.4.0.100,<3.4.0.101.0a0 + - libboost >=1.86.0,<1.87.0a0 + - libcxx >=19 + - libfreetype >=2.14.2 + - libfreetype6 >=2.14.2 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - librdkit 2025.09.6 1 + size: 7101089 + timestamp: 1773045954116 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libre2-11-2025.11.05-h4c27e2a_1.conda + sha256: 1e2d23bbc1ffca54e4912365b7b59992b7ae5cbeb892779a6dcd9eca9f71c428 + md5: 40d8ad21be4ccfff83a314076c3563f4 + depends: + - __osx >=11.0 + - libabseil * cxx17* + - libabseil >=20260107.0,<20260108.0a0 + - libcxx >=19 + constrains: + - re2 2025.11.05.* + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - libre2-11 >=2025.11.5 + size: 165851 + timestamp: 1768190225157 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/librsvg-2.62.3-he8aa2a2_0.conda + sha256: f5b4fb7b6f13bbfca59613bff2e70b5a398e80727b9d0f814837ffcbc34185e1 + md5: 6973724fadafe66ac6e4f1c55c191407 + depends: + - __osx >=11.0 + - cairo >=1.18.4,<2.0a0 + - fontconfig >=2.18.0,<3.0a0 + - fonts-conda-ecosystem + - gdk-pixbuf >=2.44.6,<3.0a0 + - harfbuzz >=14.2.0 + - libglib >=2.88.1,<3.0a0 + - libxml2-16 >=2.14.6 + - pango >=1.56.4,<2.0a0 + constrains: + - __osx >=11.0 + license: LGPL-2.1-or-later + run_exports: + weak: + - librsvg >=2.62.3,<3.0a0 + size: 2397567 + timestamp: 1780452232118 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libsodium-1.0.22-h1a92334_1.conda + sha256: 202be45db5726757a8ea1f374f85aacc18c504f5ff15b2558496dff4c8779c48 + md5: 9ed5ab909c449bdcae72322e44875a18 + depends: + - __osx >=11.0 + license: ISC + run_exports: + weak: + - libsodium >=1.0.22,<1.0.23.0a0 + size: 247352 + timestamp: 1779164136206 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libsqlite-3.53.4-h1ae2325_0.conda + sha256: 745662565e103f290e9dc4263bbd88285082f8cf699854fe2d5f1e35a4a0d326 + md5: 0e3477c0c3e718dcf2eb74ccc8f68570 + depends: + - __osx >=11.0 + - icu >=78.3,<79.0a0 + - libzlib >=1.3.2,<2.0a0 + license: blessing + run_exports: + weak: + - libsqlite >=3.53.4,<4.0a0 + size: 929203 + timestamp: 1785016131414 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libssh2-1.11.1-h1590b86_0.conda + sha256: 8bfe837221390ffc6f111ecca24fa12d4a6325da0c8d131333d63d6c37f27e0a + md5: b68e8f66b94b44aaa8de4583d3d4cc40 + depends: + - libzlib >=1.3.1,<2.0a0 + - openssl >=3.5.0,<4.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - libssh2 >=1.11.1,<2.0a0 + size: 279193 + timestamp: 1745608793272 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libtiff-4.7.2-h282da08_0.conda + sha256: 253153cabf9469170e02b21a6bc9aa598048e7c34966b1103af52d27d2a708a4 + md5: 6fa87106b3c041ad6d965a9411e79b94 + depends: + - __osx >=11.0 + - lerc >=4.1.0,<5.0a0 + - libcxx >=19 + - libdeflate >=1.25,<1.26.0a0 + - libjpeg-turbo >=3.1.4.1,<4.0a0 + - liblzma >=5.8.3,<6.0a0 + - libwebp-base >=1.6.0,<2.0a0 + - libzlib >=1.3.2,<2.0a0 + - zstd >=1.5.7,<1.6.0a0 + license: HPND + run_exports: + weak: + - libtiff >=4.7.2,<4.8.0a0 + size: 387825 + timestamp: 1783085754081 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libtorch-2.10.0-cpu_generic_h34f749e_5.conda + sha256: bd60af7db059bb8c117c04e7c16e76aa4aa33236b5872084cb76507961e22783 + md5: fdf53e08c58ad1b79432bf8a20f344c8 + depends: + - __osx >=11.0 + - fmt >=12.1.0,<12.2.0a0 + - libabseil * cxx17* + - libabseil >=20260107.1,<20260108.0a0 + - libblas >=3.9.0,<4.0a0 + - libcblas >=3.9.0,<4.0a0 + - libcxx >=19 + - liblapack >=3.9.0,<4.0a0 + - libprotobuf >=6.33.5,<6.33.6.0a0 + - libuv >=1.52.1,<2.0a0 + - libzlib >=1.3.2,<2.0a0 + - llvm-openmp >=19.1.7 + - pybind11-abi 11 + - sleef >=3.9.0,<4.0a0 + constrains: + - libopenblas * openmp_* + - pytorch-cpu 2.10.0 + - pytorch-gpu <0.0a0 + - openblas * openmp_* + - pytorch 2.10.0 cpu_generic_*_5 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - libtorch >=2.10.0,<2.11.0a0 + size: 31896035 + timestamp: 1780241975398 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libuv-1.52.1-h1a92334_1.conda + sha256: 4f47de9de1990efd998edbbd6793f89c8f02ffde987ae8120b1c006acefd2a04 + md5: de09bd0f175611e94f21b28f8c708e80 + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: + weak: + - libuv >=1.52.1,<2.0a0 + size: 122729 + timestamp: 1785914645797 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libwebp-base-1.6.0-h202fb40_1.conda + sha256: 0ff54650d470c7e54cbeffdd53a8c063e055a7bcf784388c0385ce5c4741b0f4 + md5: 168a13e329259710b28277abc1395b8e + depends: + - __osx >=11.0 + constrains: + - libwebp 1.6.0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - libwebp-base >=1.6.0,<2.0a0 + size: 294522 + timestamp: 1785955350410 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxcb-1.17.0-hdb1d25a_0.conda + sha256: bd3816218924b1e43b275863e21a3e13a5db4a6da74cca8e60bc3c213eb62f71 + md5: af523aae2eca6dfa1c8eec693f5b9a79 + depends: + - __osx >=11.0 + - pthread-stubs + - xorg-libxau >=1.0.11,<2.0a0 + - xorg-libxdmcp + license: MIT + license_family: MIT + run_exports: + weak: + - libxcb >=1.17.0,<2.0a0 + size: 323658 + timestamp: 1727278733917 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxml2-16-2.15.3-h5ef1a60_0.conda + sha256: ff75b84cdb9e8d123db2fa694a8ac2c2059516b6cbc98ac21fb68e235d0fd354 + md5: 19edaa53885fc8205614b03da2482282 + depends: + - __osx >=11.0 + - icu >=78.3,<79.0a0 + - libiconv >=1.18,<2.0a0 + - liblzma >=5.8.3,<6.0a0 + - libzlib >=1.3.2,<2.0a0 + constrains: + - libxml2 2.15.3 + license: MIT + license_family: MIT + run_exports: {} + size: 466360 + timestamp: 1776377102261 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxml2-2.15.3-h5654f7c_0.conda + sha256: 2fe1d8de0854342ae9cabe408b476935f82f5636e153b3b497456264dc8ff3a1 + md5: 8e037d73747d6fe34e12d7bcac10cf21 + depends: + - __osx >=11.0 + - icu >=78.3,<79.0a0 + - libiconv >=1.18,<2.0a0 + - liblzma >=5.8.3,<6.0a0 + - libxml2-16 2.15.3 h5ef1a60_0 + - libzlib >=1.3.2,<2.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - libxml2 + - libxml2-16 >=2.15.3 + size: 41102 + timestamp: 1776377119495 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxslt-1.1.43-hb2570ba_1.conda + sha256: 7a4d0676ab1407fecb24d4ada7fe31a98c8889f61f04612ea533599c22b8c472 + md5: 90f7ed12bb3c164c758131b3d3c2ab0c + depends: + - __osx >=11.0 + - libxml2 + - libxml2-16 >=2.14.6 + license: MIT + license_family: MIT + run_exports: + weak: + - libxslt >=1.1.43,<2.0a0 + size: 220345 + timestamp: 1757964000982 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libzip-1.11.2-h1336266_0.conda + sha256: 507599a77c1ce823c2d3acaefaae4ead0686f183f3980467a4c4b8ba209eff40 + md5: 7177414f275db66735a17d316b0a81d6 + depends: + - __osx >=11.0 + - bzip2 >=1.0.8,<2.0a0 + - libzlib >=1.3.1,<2.0a0 + - openssl >=3.3.2,<4.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - libzip >=1.11.2,<2.0a0 + size: 125507 + timestamp: 1730442214849 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/libzlib-1.3.2-h8088a28_3.conda + sha256: a18fa5d5bac452401459f966cf0d872224e8080c4ff93c77e168d43ab42ef9d7 + md5: f39288f0ea63ae962e1a2e4f355a0d75 + depends: + - __osx >=11.0 + constrains: + - zlib 1.3.2 *_3 + license: Zlib + license_family: Other + run_exports: + weak: + - libzlib >=1.3.2,<2.0a0 + size: 47822 + timestamp: 1785277049190 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/llvm-openmp-22.1.8-hc7d1edf_0.conda + sha256: ccbaad6bbc88f135ab849bc36af5fa6eda36a9ed18ce6f58e3dde3d11784c156 + md5: a9c118f6343fb6301b6f3b4e94c4c562 + depends: + - __osx >=11.0 + constrains: + - intel-openmp <0.0a0 + - openmp 22.1.8|22.1.8.* + license: Apache-2.0 WITH LLVM-exception + license_family: APACHE + run_exports: + strong: + - llvm-openmp >=22.1.8 + size: 286313 + timestamp: 1781736516782 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/llvmlite-0.48.0-py313h466ddcb_1.conda + sha256: fd1966064da2fa5be7dc3a5314dbec2a1cf43b862a41290cf0864893139c891b + md5: dd8e82ca805052bf70940005779bcb40 + depends: + - python + - __osx >=11.0 + - libcxx >=19 + - zstd >=1.5.7,<1.6.0a0 + - python_abi 3.13.* *_cp313 + - libzlib >=1.3.2,<2.0a0 + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 30236939 + timestamp: 1784043457653 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/lxml-6.1.1-py313h28ec6f0_0.conda + sha256: aea30c997fcff9fe0104267f2c3ea15f2bd112ce3637d90b2ed18e6bd3cd53f5 + md5: 1091294aaa605243551cdb928c487818 + depends: + - __osx >=11.0 + - libxml2 + - libxml2-16 >=2.14.6 + - libxslt >=1.1.43,<2.0a0 + - libzlib >=1.3.2,<2.0a0 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: BSD-3-Clause and MIT-CMU + run_exports: {} + size: 1365331 + timestamp: 1779195767796 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/lz4-c-1.10.0-h286801f_1.conda + sha256: 94d3e2a485dab8bdfdd4837880bde3dd0d701e2b97d6134b8806b7c8e69c8652 + md5: 01511afc6cc1909c5303cf31be17b44f + depends: + - __osx >=11.0 + - libcxx >=18 + license: BSD-2-Clause + license_family: BSD + run_exports: + weak: + - lz4-c >=1.10.0,<1.11.0a0 + size: 148824 + timestamp: 1733741047892 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/markupsafe-3.0.3-py313h65a2061_1.conda + sha256: f62892a42948c61aa0a13d9a36ff811651f0a1102331223594aecf3cc042bece + md5: 0195d558b0c0ab8f4af3089af83067c5 + depends: + - __osx >=11.0 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + constrains: + - jinja2 >=3.0.0 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 26009 + timestamp: 1772445537524 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/matplotlib-base-3.11.1-py313h43b7ab6_2.conda + sha256: b16ae53e47f32c66cb2156985060c40c734beff3dbaa06a9115c878a25b0aebd + md5: ef171c13401df1df9338b06e9bbe6886 + depends: + - __osx >=11.0 + - contourpy >=1.0.1 + - cycler >=0.10 + - fonttools >=4.28.2 + - freetype + - kiwisolver >=1.3.1 + - libcxx >=19 + - libfreetype >=2.14.3 + - libfreetype6 >=2.14.3 + - libraqm >=0.11.0,<0.12.0a0 + - numpy >=1.25 + - numpy >=1.25,<3 + - packaging >=20.0 + - pillow >=9 + - pyparsing >=3 + - python >=3.13,<3.14.0a0 + - python-dateutil >=2.7 + - python_abi 3.13.* *_cp313 + - qhull >=2020.2,<2020.3.0a0 + license: PSF-2.0 + license_family: PSF + run_exports: {} + size: 8684905 + timestamp: 1785211216767 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/mdanalysis-2.10.0-py313h7d16b84_1.conda + sha256: 106a86b270d6228fc63ab0e4847b89d135df304f34cdf93d51b2f0e21d6e6aaf + md5: d481df752f2f35c512ea27fa1029e90d + depends: + - __osx >=11.0 + - filelock + - griddataformats >=0.4.0 + - gsd >3.0.0 + - h5py >=2.10.0 + - joblib >=0.12 + - libcxx >=19 + - matplotlib-base >=1.5.1 + - mda-xdrlib + - mmtf-python >=1.0.0 + - netcdf4 >=1.0 + - networkx >=2.0 + - numpy >=1.23,<3 + - numpy >=1.26.0 + - packaging + - pyedr >=0.7.1 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + - pytng >=0.2.3 + - scikit-learn + - scipy >=1.5.0 + - seaborn + - threadpoolctl + - tidynamics >=1.0.0 + - tqdm >=4.43.0 + license: LGPL-3.0-or-later + license_family: LGPL + run_exports: {} + size: 4897526 + timestamp: 1760812985158 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/mdtraj-1.11.1-py313hea77555_2.conda + sha256: 0929d5e8397f74b733dff593a8cc7c96f97c7dc1864007fff61bf8d466a3a8b4 + md5: 6263d6291730218c0b47e29c65dbcee7 + depends: + - python + - setuptools + - packaging + - numpy >=1.25.0,<2.5 + - scipy + - pandas <3 + - pyparsing + - pytables + - snappy + - zlib + - python 3.13.* *_cp313 + - __osx >=11.0 + - libcxx >=19 + - python_abi 3.13.* *_cp313 + - numpy >=1.23,<3 + - libzlib >=1.3.2,<2.0a0 + constrains: + - gsd !=3.0.0 + license: LGPL-2.1-or-later + run_exports: {} + size: 1253125 + timestamp: 1783525451454 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/ml_dtypes-0.5.4-np2py313hdc65ad0_1.conda + sha256: 1eb9af1c15166fb708edaaed7bcd6148eeb2a09c11309a35cf32d0e30ddfb877 + md5: 6a036407f25040aeb07142b247b7d25b + depends: + - python + - python 3.13.* *_cp313 + - libcxx >=19 + - __osx >=11.0 + - numpy >=1.23,<3 + - python_abi 3.13.* *_cp313 + license: MPL-2.0 AND Apache-2.0 + run_exports: {} + size: 243880 + timestamp: 1771362400705 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/mpc-1.4.0-h169892a_0.conda + sha256: a9774664adea222e4165efddcd902641c03c7d08fda3a83a5b0885e675ead309 + md5: 2845c3a1d0d8da1db92aba8323892475 + depends: + - __osx >=11.0 + - gmp >=6.3.0,<7.0a0 + - mpfr >=4.2.2,<5.0a0 + license: LGPL-3.0-or-later + license_family: LGPL + run_exports: + weak: + - mpc >=1.4.0,<2.0a0 + size: 86181 + timestamp: 1774472395307 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/mpfr-4.2.2-h6bc93b0_0.conda + sha256: af5eca85f7ffdd403275e916f1de40a7d4b48ae138f12479523d9500c6a073ba + md5: a47a14da2103c9c7a390f7c8bc8d7f9b + depends: + - __osx >=11.0 + - gmp >=6.3.0,<7.0a0 + license: LGPL-3.0-only + license_family: LGPL + run_exports: + weak: + - mpfr >=4.2.2,<5.0a0 + size: 348767 + timestamp: 1773414111071 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/msgpack-python-1.2.1-py313h80c1790_1.conda + sha256: 7b7ed81bf9953f8f8c733f5c6b9b2d272138e1c3f12891f2c7a429e679b1236e + md5: 2cbbc7821c8f22f4800425713bff552e + depends: + - python + - __osx >=11.0 + - libcxx >=19 + - python_abi 3.13.* *_cp313 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 102402 + timestamp: 1786217424187 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/ncurses-6.6-he64c551_1.conda + sha256: 7024a48c8c0d0114ed4ab53c76bf9275d50e91ba7cea367a9aead638d3c29c68 + md5: 3dfa0d0316dc246cd44937a557de4501 + depends: + - __osx >=11.0 + license: X11 AND BSD-3-Clause + run_exports: + weak: + - ncurses >=6.6,<7.0a0 + size: 804298 + timestamp: 1786355189145 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/netcdf-fortran-4.6.3-nompi_h82d7a24_101.conda + sha256: c5e2019488c8ef9df906c24dc4988b32ecba63d09c4576e285fb842c2b9c022d + md5: 881456629f3b0859382875a23c3927d9 + depends: + - libnetcdf * nompi_* + - hdf5 * nompi_* + - __osx >=11.0 + - libgfortran + - libgfortran5 >=14.3.0 + - libzlib >=1.3.2,<2.0a0 + - libnetcdf >=4.10.1,<4.10.2.0a0 + - hdf5 >=1.14.6,<1.14.7.0a0 + license: NetCDF + run_exports: + weak: + - netcdf-fortran >=4.6.3,<4.7.0a0 + size: 514094 + timestamp: 1783866625871 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/netcdf4-1.7.4-nompi_py311hb912870_109.conda + noarch: python + sha256: ee86bc8621211c975cf1a62d893043798da856f1dc01ee063f6f79ed0bd22c3a + md5: 920f8a7fce256025115bba923c6ebce9 + depends: + - python + - certifi + - cftime + - numpy + - packaging + - hdf5 + - libnetcdf + - __osx >=11.0 + - hdf5 >=1.14.6,<1.14.7.0a0 + - numpy >=1.23,<3 + - libnetcdf >=4.10.1,<4.10.2.0a0 + - libzlib >=1.3.2,<2.0a0 + - _python_abi3_support 1.* + - cpython >=3.11 + license: MIT + license_family: MIT + run_exports: {} + size: 998158 + timestamp: 1783865942129 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/numba-0.66.0-py313h56deecd_1.conda + sha256: 65363c665c64fb14c5d7f571e4c02fa5a7e3b1eab194b816b1de26ba0139f0a2 + md5: 63190d163b713b31deec205286bee001 + depends: + - python + - llvmlite >=0.48.0,<0.49.0a0 + - numpy >=1.22.3,<2.5 + - llvm-openmp >=19.1.7 + - __osx >=11.0 + - libcxx >=19 + - numpy >=1.23,<3 + - python_abi 3.13.* *_cp313 + constrains: + - tbb >=2021.6.0 + - libopenblas >=0.3.18,!=0.3.20 + - cuda-version >=11.2 + - cudatoolkit >=11.2 + - scipy >=1.0 + - cuda-python >=11.6 + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 6101288 + timestamp: 1785940731133 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/numexpr-2.14.2-py313h23850d5_0.conda + sha256: 5f6fc35ffcac33ac6d7e8ba86c67fca87c37f73fe352411b588bfe888143eea4 + md5: 69f842164e2efa29580e0c011da4822f + depends: + - __osx >=11.0 + - libcxx >=19 + - numpy >=1.23.0 + - numpy >=1.25,<3 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: MIT + license_family: MIT + run_exports: {} + size: 202228 + timestamp: 1784389449342 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/numpy-2.4.6-py313hce9b930_0.conda + sha256: 3f79e4755d6feafe2d9ce9e42cf28a2054ce404c5b9a89fde16eb48fd25e89c5 + md5: 13243cfdfeece38ffd42780e315129cf + depends: + - python + - __osx >=11.0 + - libcxx >=19 + - liblapack >=3.9.0,<4.0a0 + - libblas >=3.9.0,<4.0a0 + - python_abi 3.13.* *_cp313 + - libcblas >=3.9.0,<4.0a0 + constrains: + - numpy-base <0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - numpy >=1.23,<3 + size: 6928597 + timestamp: 1779169217159 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/ocl_icd_wrapper_apple-1.0.0-h27ca646_0.tar.bz2 + sha256: dd04e58c813d46c41f65561f92922d25053d2049a10759e679e26f1c785678e7 + md5: 9104716a5fb54f62431752dc863cd909 + depends: + - khronos-opencl-icd-loader >=2020.6.16 + license: BSD-2-Clause + license_family: BSD + run_exports: {} + size: 18631 + timestamp: 1605242282408 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/oniguruma-6.9.10-h1a92334_1.conda + sha256: 92a6ca62564165da0c1d6c321555b8cd3e5a660512ee0466b89c46e3637a5bf7 + md5: ffe6286c38000935f186202d469aab0a + depends: + - __osx >=11.0 + license: BSD-2-Clause + license_family: BSD + run_exports: + weak: + - oniguruma >=6.9.10,<6.10.0a0 + size: 256169 + timestamp: 1786354290452 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/opencl-headers-2025.06.13-hf6b4638_0.conda + sha256: 0e6737e4aaf2e3dce984fca5575480c32c51608b6435042813054fed320c6dc0 + md5: 0a7a5d256fa6d858d5b496843a161e66 + depends: + - __osx >=11.0 + - libcxx >=19 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 55910 + timestamp: 1773845156357 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/openjpeg-2.5.4-hd9e9057_0.conda + sha256: 60aca8b9f94d06b852b296c276b3cf0efba5a6eb9f25feb8708570d3a74f00e4 + md5: 4b5d3a91320976eec71678fad1e3569b + depends: + - __osx >=11.0 + - libcxx >=19 + - libpng >=1.6.55,<1.7.0a0 + - libtiff >=4.7.1,<4.8.0a0 + - libzlib >=1.3.1,<2.0a0 + license: BSD-2-Clause + license_family: BSD + run_exports: + weak: + - openjpeg >=2.5.4,<3.0a0 + size: 319697 + timestamp: 1772625397692 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/openldap-2.6.13-hf7f56bc_0.conda + sha256: 4a7b691a5b2241ee10f59a9e51f68be4cf1e4294829cebb40d198139a561e780 + md5: 7940b03e5c1e85b0c8b8a74f3011783f + depends: + - __osx >=11.0 + - cyrus-sasl >=2.1.28,<3.0a0 + - krb5 >=1.22.2,<1.23.0a0 + - libcxx >=19 + - openssl >=3.5.6,<4.0a0 + license: OLDAP-2.8 + license_family: BSD + run_exports: + weak: + - openldap >=2.6.13,<2.7.0a0 + size: 844724 + timestamp: 1775742074928 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/openmm-8.4.0-py313ha7a67b4_2_khronos.conda + build_number: 2 + sha256: a5842e4c57f6a24f1db9bb86349d5b5df311bced8dab9c2b5510f8eae0e2cec8 + md5: 564d540b213f5ef3e63411f251f045e1 + depends: + - __osx >=11.0 + - khronos-opencl-icd-loader >=2024.10.24 + - libcxx >=19 + - numpy >=1.23,<3 + - ocl_icd_wrapper_apple + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + - scipy + license: LGPL-3.0-or-later + license_family: LGPL + run_exports: {} + size: 11147592 + timestamp: 1765256067670 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/openssl-3.6.3-hd24854e_1.conda + sha256: 66be2283b5b37dcda1332b5e74c1782a8cb14fd2e62e0d38017c2d35bf73c119 + md5: 65d1906712b85d1679263c518d011b5b + depends: + - __osx >=11.0 + - ca-certificates + license: Apache-2.0 + license_family: Apache + run_exports: + weak: + - openssl >=3.6.3,<4.0a0 + size: 3109132 + timestamp: 1785913735357 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/optree-0.19.1-py313h5c29297_0.conda + sha256: 8ed106b6d0c14ddc43dc4774b5c7a96e0d208308e1e377037a01b70ecc4ede05 + md5: cc1e479bdb6d80019b32d707e3ab17a4 + depends: + - __osx >=11.0 + - libcxx >=19 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + - typing-extensions >=4.12 + license: Apache-2.0 + license_family: Apache + run_exports: {} + size: 447680 + timestamp: 1778048115337 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pandas-2.3.3-py313h7d16b84_2.conda + sha256: 5bc16e74bed7abbdbcedd76e72549cd4f9fc513b95261934c8173be6b8b1022c + md5: 03771a1c710d15974372ae791811bcde + depends: + - __osx >=11.0 + - libcxx >=19 + - numpy >=1.22.4 + - numpy >=1.23,<3 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python-dateutil >=2.8.2 + - python-tzdata >=2022.7 + - python_abi 3.13.* *_cp313 + - pytz >=2020.1 + constrains: + - pytables >=3.8.0 + - gcsfs >=2022.11.0 + - blosc >=1.21.3 + - pandas-gbq >=0.19.0 + - python-calamine >=0.1.7 + - psycopg2 >=2.9.6 + - s3fs >=2022.11.0 + - zstandard >=0.19.0 + - numba >=0.56.4 + - tabulate >=0.9.0 + - pyarrow >=10.0.1 + - openpyxl >=3.1.0 + - pyxlsb >=1.0.10 + - bottleneck >=1.3.6 + - matplotlib >=3.6.3 + - pyreadstat >=1.2.0 + - fastparquet >=2022.12.0 + - fsspec >=2022.11.0 + - lxml >=4.9.2 + - xlrd >=2.0.1 + - qtpy >=2.3.0 + - sqlalchemy >=2.0.0 + - xlsxwriter >=3.0.5 + - html5lib >=1.1 + - scipy >=1.10.0 + - pyqt5 >=5.15.9 + - tzdata >=2022.7 + - beautifulsoup4 >=4.11.2 + - xarray >=2022.12.0 + - numexpr >=2.8.4 + - odfpy >=1.4.1 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 13898998 + timestamp: 1764615741354 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pango-1.58.2-hf80efc4_0.conda + sha256: c300fba11c4cd7cdd7609b6f165981af24d2181d40280ca6af420710c4c7d42e + md5: 83c3d3d895dd96f87b0a1916e2c41f70 + depends: + - __osx >=11.0 + - cairo >=1.18.4,<2.0a0 + - fontconfig >=2.18.2,<3.0a0 + - fonts-conda-ecosystem + - fribidi >=1.0.16,<2.0a0 + - libexpat >=2.8.1,<3.0a0 + - libfreetype >=2.14.3 + - libfreetype6 >=2.14.3 + - libglib >=2.88.3,<3.0a0 + - libharfbuzz >=14.3.0 + - libpng >=1.6.58,<1.7.0a0 + - libzlib >=1.3.2,<2.0a0 + license: LGPL-2.1-or-later + run_exports: + weak: + - pango >=1.58.2,<2.0a0 + size: 444011 + timestamp: 1786108209790 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/parmed-4.3.1-py313h7bddb08_1.conda + sha256: b1a37cc94a790082ac6007b66e53f1a13222e2fbfd1127aaafa60ae90ae4fd7d + md5: ea5fb5d08e374bc6d9f34fb1e4e3ce7c + depends: + - numpy >=1.14 + - pandas + - python + - python 3.13.* *_cp313 + - libcxx >=19 + - python_abi 3.13.* *_cp313 + license: LGPL-2.1-or-later + run_exports: {} + size: 19714594 + timestamp: 1777536177229 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pcre2-10.47-h30297fc_0.conda + sha256: 5e2e443f796f2fd92adf7978286a525fb768c34e12b1ee9ded4000a41b2894ba + md5: 9b4190c4055435ca3502070186eba53a + depends: + - __osx >=11.0 + - bzip2 >=1.0.8,<2.0a0 + - libzlib >=1.3.1,<2.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - pcre2 >=10.47,<10.48.0a0 + size: 850231 + timestamp: 1763655726735 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/perl-5.32.1-7_h4614cfb_perl5.conda + build_number: 7 + sha256: b0c55040d2994fd6bf2f83786561d92f72306d982d6ea12889acad24a9bf43b8 + md5: ba3cbe93f99e896765422cc5f7c3a79e + license: GPL-1.0-or-later OR Artistic-1.0-Perl + run_exports: + weak: + - perl >=5.32.1,<5.33.0a0 *_perl5 + noarch: + - perl >=5.32.1,<6.0a0 *_perl5 + size: 14439531 + timestamp: 1703311335652 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pillow-12.3.0-py313h45e5a15_0.conda + sha256: 98bd4dd560714b500ab2056664beae514993a861364dffc941bd661ab086f726 + md5: da5b19ecf11bee5d980d5f793a80feec + depends: + - python + - __osx >=11.0 + - python 3.13.* *_cp313 + - tk >=8.6.13,<8.7.0a0 + - libfreetype >=2.14.3 + - libfreetype6 >=2.14.3 + - python_abi 3.13.* *_cp313 + - lcms2 >=2.19.1,<3.0a0 + - libwebp-base >=1.6.0,<2.0a0 + - zlib-ng >=2.3.3,<2.4.0a0 + - openjpeg >=2.5.4,<3.0a0 + - libxcb >=1.17.0,<2.0a0 + - libtiff >=4.7.1,<4.8.0a0 + - libjpeg-turbo >=3.1.4.1,<4.0a0 + license: HPND + run_exports: {} + size: 990406 + timestamp: 1782912213683 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pixman-0.46.4-h784d473_3.conda + sha256: 4779cd57231ce2e96fac643fcbdd4a6f51a57986264545445574e9c4acf526d3 + md5: 9a99c0b60efe41c194d01c182d000733 + depends: + - __osx >=11.0 + - libcxx >=19 + license: MIT + license_family: MIT + run_exports: + weak: + - pixman >=0.46.4,<1.0a0 + size: 198717 + timestamp: 1786106922508 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/psutil-7.1.3-py313h9734d34_0.conda + sha256: a175fee131b28ecd2dadd2b3fdc9b75b50ad5ad502d984280ae064152739c567 + md5: b17da028e6650dce95f8247faf84ba48 + depends: + - python + - python 3.13.* *_cp313 + - __osx >=11.0 + - python_abi 3.13.* *_cp313 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 515398 + timestamp: 1762093071645 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pthread-stubs-0.4-h84a0fba_1003.conda + sha256: 1c2338b9b0486af86883b9593d2f3e2845bbf216ea453dfe5d9a228e8dbe4057 + md5: d4852e6054b74645cf49ca10f6349191 + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: {} + size: 9238 + timestamp: 1786068031100 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pycairo-1.29.1-py313hb909e90_0.conda + sha256: 88ac600509158b372ab6aed27589692f937a3450ad4105607f9c9fadb309d841 + md5: 429f088da84b0978bfc17755c1fa6e3b + depends: + - __osx >=11.0 + - cairo >=1.18.4,<2.0a0 + - libexpat >=2.8.1,<3.0a0 + - libfreetype >=2.14.3 + - libfreetype6 >=2.14.3 + - libzlib >=1.3.2,<2.0a0 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: LGPL-2.1-only OR MPL-1.1 + run_exports: {} + size: 106218 + timestamp: 1786388950162 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pydantic-core-2.33.2-py313h212e517_1.conda + sha256: 5878f4b7acafe1c4c03af16d2298599b1bbe63f519c76f4fe1ebe2b5810f889e + md5: 429e6191aa60f079b5ae2f3069e2aa96 + depends: + - python + - typing-extensions >=4.6.0,!=4.7.0 + - __osx >=11.0 + - python 3.13.* *_cp313 + - python_abi 3.13.* *_cp313 + constrains: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: {} + size: 1718997 + timestamp: 1780990368255 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pygraphviz-1.14-py313hef38a24_3.conda + sha256: 0ae664f4781641dc9c39fd0f649b87ea5e34eff92d25e1fbd8ad30b6f18645d7 + md5: 898562c018dafc95b1dcb976cb510f26 + depends: + - __osx >=11.0 + - graphviz >=14.1.0,<15.0a0 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 144967 + timestamp: 1768735356368 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyobjc-core-11.0-py313hb6afeec_0.conda + sha256: 60dcbfdd022902f3492a38af181eb17310f93d9b87ca2bf70794fd58ac38a45a + md5: 6a46199aebac189cc979358d52e098f4 + depends: + - __osx >=11.0 + - libffi >=3.4,<4.0a0 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + - setuptools + license: MIT + license_family: MIT + run_exports: {} + size: 482419 + timestamp: 1736891038169 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyobjc-framework-cocoa-11.0-py313hb6afeec_0.conda + sha256: ae1f04dfe889a52628e4886b8fa6f1e8696b2b9bc5dd074e4d11c001e49ba249 + md5: 63722167812348a37aae8f062ad88590 + depends: + - __osx >=11.0 + - libffi >=3.4,<4.0a0 + - pyobjc-core 11.0.* + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: MIT + license_family: MIT + run_exports: {} + size: 384331 + timestamp: 1736927195004 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pytables-3.11.1-py313hffa1668_5.conda + sha256: 79edf7d1e619faa98651813cd2c9608ae8113c2845ba7717f74a43da8819c427 + md5: c17269f56cdfb083c6528f8f2b4188d2 + depends: + - __osx >=11.0 + - blosc >=1.21.6,<2.0a0 + - bzip2 >=1.0.8,<2.0a0 + - c-blosc2 >=3.2.3,<3.3.0a0 + - hdf5 >=1.14.6,<1.14.7.0a0 + - libcxx >=19 + - libzlib >=1.3.2,<2.0a0 + - numexpr + - numpy >=1.20.0 + - numpy >=1.25,<3 + - packaging + - py-cpuinfo + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + - typing-extensions >=4.4.0 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 1774090 + timestamp: 1784970826570 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/python-3.13.15-hf1cfe1e_101_cp313.conda + build_number: 101 + sha256: 5d581f5236760dfd35b516cc4268b06d6d05cd6f96720083ec0c8a9300218270 + md5: d63c64caf641d0767f776336134a88a5 + depends: + - __osx >=11.0 + - bzip2 >=1.0.8,<2.0a0 + - libexpat >=2.8.1,<3.0a0 + - libffi >=3.7.0,<3.8.0a0 + - liblzma >=5.8.3,<6.0a0 + - libmpdec >=4.0.0,<5.0a0 + - libsqlite >=3.53.4,<4.0a0 + - libzlib >=1.3.2,<2.0a0 + - ncurses >=6.6,<7.0a0 + - openssl >=3.5.7,<4.0a0 + - python_abi 3.13.* *_cp313 + - readline >=8.3,<9.0a0 + - tk >=8.6.13,<8.7.0a0 + - tzdata + license: Python-2.0 + run_exports: + weak: + - python_abi 3.13.* *_cp313 + noarch: + - python + size: 17119404 + timestamp: 1786367447230 + python_site_packages_path: lib/python3.13/site-packages +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pytng-0.3.4-py313hf951d8b_0.conda + sha256: 39f5bc9b32a7e3a41831604689cfb0b6b932cb9295d849192f1009965925b2ef + md5: fad2d9b941cedc57e3f80184a5397be3 + depends: + - __osx >=11.0 + - libzlib >=1.3.1,<2.0a0 + - numpy >=1.23,<3 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 487858 + timestamp: 1760418451694 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pytorch-2.10.0-cpu_generic_py313_ha93366a_5.conda + sha256: 994082323375e1af706c44078733b0b71afe34a2d72a58cecb7e1a437d61f70f + md5: 6d771abb1a687b7dfae78940b6ea5229 + depends: + - __osx >=11.0 + - filelock + - fmt >=12.1.0,<12.2.0a0 + - fsspec + - jinja2 + - libabseil * cxx17* + - libabseil >=20260107.1,<20260108.0a0 + - libcblas >=3.9.0,<4.0a0 + - libcxx >=19 + - liblapack >=3.9.0,<4.0a0 + - libprotobuf >=6.33.5,<6.33.6.0a0 + - libtorch 2.10.0 cpu_generic_h34f749e_5 + - libuv >=1.52.1,<2.0a0 + - libzlib >=1.3.2,<2.0a0 + - llvm-openmp >=19.1.7 + - mpmath <1.4 + - networkx + - nomkl + - numpy >=1.23,<3 + - optree >=0.13.0 + - pybind11 <3.0.2 + - pybind11-abi 11 + - python >=3.13,<3.14.0a0 + - python_abi 3.13.* *_cp313 + - setuptools + - sleef >=3.9.0,<4.0a0 + - sympy >=1.13.3 + - typing_extensions >=4.10.0 + constrains: + - pytorch-gpu <0.0a0 + - pytorch-cpu 2.10.0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - pytorch >=2.10.0,<2.11.0a0 + - libtorch >=2.10.0,<2.11.0a0 + size: 23178918 + timestamp: 1780242564522 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyyaml-6.0.3-py313h65a2061_1.conda + sha256: 950725516f67c9691d81bb8dde8419581c5332c5da3da10c9ba8cbb1698b825d + md5: 5d0c8b92128c93027632ca8f8dc1190f + depends: + - __osx >=11.0 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + - yaml >=0.2.5,<0.3.0a0 + license: MIT + license_family: MIT + run_exports: {} + size: 188763 + timestamp: 1770224094408 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyzmq-27.1.0-py312h022ad19_3.conda + noarch: python + sha256: 086cc67ec57afb7c9c09b5e09e7356b536b5b1af6c2e97117dc022cd22f0d472 + md5: 73f22bde4991f30ae2bfac3811577c15 + depends: + - python + - libcxx >=19 + - __osx >=11.0 + - zeromq >=4.3.5,<4.4.0a0 + - _python_abi3_support 1.* + - cpython >=3.12 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 191432 + timestamp: 1779484184540 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/qhull-2020.2-h420ef59_5.conda + sha256: 873ac689484262a51fd79bc6103c1a1bedbf524924d7f0088fb80703042805e4 + md5: 6483b1f59526e05d7d894e466b5b6924 + depends: + - __osx >=11.0 + - libcxx >=16 + license: LicenseRef-Qhull + run_exports: + weak: + - qhull >=2020.2,<2020.3.0a0 + size: 516376 + timestamp: 1720814307311 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/rdkit-2025.09.6-py313hd3dfd35_1.conda + sha256: bc77d2f300af429182c0cc09d388e86f51725825ccb842b1a3e9a59bcdec3db0 + md5: df60dce4f5ed9ab2b767b9fd70ea474f + depends: + - __osx >=11.0 + - cairo >=1.18.4,<2.0a0 + - libboost >=1.86.0,<1.87.0a0 + - libboost-python >=1.86.0,<1.87.0a0 + - libcxx >=19 + - libfreetype >=2.14.2 + - libfreetype6 >=2.14.2 + - libpq >=18.3,<19.0a0 + - librdkit 2025.09.6 h5803ea0_1 + - matplotlib-base + - numpy >=1.23,<3 + - pandas + - pillow + - pycairo + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + - reportlab + - sqlalchemy + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 18778138 + timestamp: 1773046676404 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/re2-2025.11.05-ha480c28_1.conda + sha256: 5bab972e8f2bff1b5b3574ffec8ecb89f7937578bd107584ed3fde507ff132f9 + md5: a1ff22f664b0affa3de712749ccfbf04 + depends: + - libre2-11 2025.11.05 h4c27e2a_1 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - libre2-11 >=2025.11.5 + - re2 + size: 27445 + timestamp: 1768190259003 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/readline-8.3-h46df422_0.conda + sha256: a77010528efb4b548ac2a4484eaf7e1c3907f2aec86123ed9c5212ae44502477 + md5: f8381319127120ce51e081dce4865cf4 + depends: + - __osx >=11.0 + - ncurses >=6.5,<7.0a0 + license: GPL-3.0-only + license_family: GPL + run_exports: + weak: + - readline >=8.3,<9.0a0 + size: 313930 + timestamp: 1765813902568 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/rpds-py-2026.6.3-py313hb9d2816_0.conda + sha256: 5e35d116e8c9582f4cddc930b6d0af8e15bc704090efa3f68ca4b64f7367dbc1 + md5: 78cfb04c5e8beba6273e384643839e44 + depends: + - python + - __osx >=11.0 + - python_abi 3.13.* *_cp313 + constrains: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: {} + size: 285490 + timestamp: 1782831312575 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/rustworkx-0.18.1-py310hf7b50e3_7.conda + noarch: python + sha256: ae1e7aaf8ff1fa8124263e7d7e4e5ea578e85d927385c287511c68a5a5782846 + md5: f1883043ca99d7088e493ef947e6260a + depends: + - numpy >=1.16.0,<3 + - python + - __osx >=11.0 + - _python_abi3_support 1.* + - cpython >=3.10 + constrains: + - matplotlib >=3.0 + - matplotlib-base >=3.0 + - pillow >=5.4 + - __osx >=11.0 + license: Apache-2.0 + license_family: APACHE + run_exports: {} + size: 1923941 + timestamp: 1785371123178 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/scikit-learn-1.9.0-np2py313h3b23316_0.conda + sha256: 9a4952f444b1cc4e293fdfc727bfb5169cb2c11e4e42b61fee276d4febb995a4 + md5: 5e343b51e6728cb88da5e2e1bba24cf7 + depends: + - python + - numpy >=1.24.1 + - scipy >=1.10.0 + - joblib >=1.4.0 + - threadpoolctl >=3.5.0 + - narwhals >=2.0.1 + - libcxx >=19 + - python 3.13.* *_cp313 + - llvm-openmp >=19.1.7 + - __osx >=11.0 + - python_abi 3.13.* *_cp313 + - numpy >=1.23,<3 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 9578596 + timestamp: 1780401265477 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/scipy-1.18.0-py313h52f5312_0.conda + sha256: d1bf4f384b822df098eddf66ac71e407c63148b1fb3b5cf4d536f6ae40269cca + md5: 110ff05ffef908af95192bb17c4006a0 + depends: + - __osx >=11.0 + - libblas >=3.9.0,<4.0a0 + - libcblas >=3.9.0,<4.0a0 + - libcxx >=19 + - libgfortran + - libgfortran5 >=14.3.0 + - liblapack >=3.9.0,<4.0a0 + - numpy <2.7 + - numpy >=1.23,<3 + - numpy >=2.0.0 + - python >=3.13,<3.14.0a0 + - python_abi 3.13.* *_cp313 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 14094513 + timestamp: 1781912946907 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/sleef-3.9.0-hb028509_0.conda + sha256: 799d0578369e67b6d0d6ecdacada411c259629fc4a500b99703c5e85d0a68686 + md5: 68f833178f171cfffdd18854c0e9b7f9 + depends: + - __osx >=11.0 + - libcxx >=19 + - llvm-openmp >=19.1.7 + license: BSL-1.0 + run_exports: + weak: + - sleef >=3.9.0,<4.0a0 + size: 587027 + timestamp: 1756274982526 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/snappy-1.2.2-hada39a4_1.conda + sha256: cb9305ede19584115f43baecdf09a3866bfcd5bcca0d9e527bd76d9a1dbe2d8d + md5: fca4a2222994acd7f691e57f94b750c5 + depends: + - libcxx >=19 + - __osx >=11.0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - snappy >=1.2.2,<1.3.0a0 + size: 38883 + timestamp: 1762948066818 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/sqlalchemy-2.0.51-py313h12dd151_1.conda + sha256: 5bdb93c5b44472d78336cd92de1c46eb90b37e895176a22ef1b90bedfc020b23 + md5: db78a4110d3605a03a8d2cbe38335d44 + depends: + - python + - greenlet !=0.4.17 + - typing-extensions >=4.6.0 + - __osx >=11.0 + - python_abi 3.13.* *_cp313 + license: MIT + run_exports: {} + size: 3844409 + timestamp: 1786462918688 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/statsmodels-0.14.6-py313hc577518_0.conda + sha256: b55f42a663d30564a65b300b5cf1108efd5539837e966d277758d75a80b724fd + md5: b547594a22e18442099ffa9fb76521b9 + depends: + - __osx >=11.0 + - numpy <3,>=1.22.3 + - numpy >=1.23,<3 + - packaging >=21.3 + - pandas !=2.1.0,>=1.4 + - patsy >=0.5.6 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + - scipy !=1.9.2,>=1.8 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 11706032 + timestamp: 1764983810324 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/tk-8.6.13-hd3d0363_3.conda + sha256: 47186bc7ab8d7e8bee86bbd1a917196f8c21cf63f081fc33cd6d1221af087580 + md5: 8e3cf0e455e6b54519f0b1c72c61780a + depends: + - __osx >=11.0 + - libzlib >=1.3.2,<2.0a0 + license: TCL + run_exports: + weak: + - tk >=8.6.13,<8.7.0a0 + size: 3338712 + timestamp: 1784229090530 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/tornado-6.5.8-py313h0997733_0.conda + sha256: 1a6b1c836ab8584551356d87cf815c6cfe6d0a07eaa1c7b1959fa9da48f07b5a + md5: dda0af717aa5274c5a326b81b52a4fab + depends: + - __osx >=11.0 + - python >=3.13,<3.14.0a0 + - python >=3.13,<3.14.0a0 *_cp313 + - python_abi 3.13.* *_cp313 + license: Apache-2.0 + license_family: Apache + run_exports: {} + size: 892574 + timestamp: 1786227012927 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libice-1.1.2-h5505292_0.conda + sha256: 0e68b75a51901294ab21c031dcc1e485a65770a4893f98943b0908c4217b14e1 + md5: daf3b34253eea046c9ab94e0c3b2f83d + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: + weak: + - xorg-libice >=1.1.2,<2.0a0 + size: 48418 + timestamp: 1734227712919 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libsm-1.2.6-h5505292_0.conda + sha256: 9bd3cb47ad7bb6c2d0b3b39d76c0e0a7b1d39fc76524fe76a7ff014073467bf5 + md5: a01171a0aee17fc4e74a50971a87755d + depends: + - __osx >=11.0 + - xorg-libice >=1.1.2,<2.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - xorg-libsm >=1.2.6,<2.0a0 + size: 24419 + timestamp: 1741896544082 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libx11-1.8.13-hf948f5a_0.conda + sha256: e8889281828ee19afb2fdd7b5d7a4b7c2e013b2ae38af4529040de542f92b065 + md5: 85b1ce864f9a18468db4c583c7778c7d + depends: + - __osx >=11.0 + - libxcb >=1.17.0,<2.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - xorg-libx11 >=1.8.13,<2.0a0 + size: 756862 + timestamp: 1770819743113 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxau-1.0.12-h84a0fba_2.conda + sha256: 5c5ea38ceec008e4ff40111fc166b04086fca310b0aa9e5bd46f65e6b0dcb71d + md5: 31d71ce1b056f69b6ec67ee0712bdf97 + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: + weak: + - xorg-libxau >=1.0.12,<2.0a0 + size: 15124 + timestamp: 1786381585975 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxdmcp-1.1.5-h84a0fba_2.conda + sha256: 2f6915f0897ace4a1b5d66d0463079f7bc9819b0048c03677e47764f0a743499 + md5: f51e9414bf1b7bb556aac1a0b74a75fe + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: + weak: + - xorg-libxdmcp >=1.1.5,<2.0a0 + size: 19486 + timestamp: 1786381546642 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxext-1.3.7-h84a0fba_0.conda + sha256: 18bbf20b4da142b368e1ae8c2124a3fd7148e2003480ad8b1acdcaa3e6454b07 + md5: 72851739795cdef9bb7124114c630df9 + depends: + - __osx >=11.0 + - xorg-libx11 >=1.8.12,<2.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - xorg-libxext >=1.3.7,<2.0a0 + size: 42748 + timestamp: 1769445838425 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxt-1.3.1-h5505292_0.conda + sha256: c32235891d65e49e97babe649c45ec2e40a148b4e6ca4cae4ed84811238e0aae + md5: a5c47d582f31083353559dc9aff907c3 + depends: + - __osx >=11.0 + - xorg-libice >=1.1.1,<2.0a0 + - xorg-libsm >=1.2.4,<2.0a0 + - xorg-libx11 >=1.8.10,<2.0a0 + license: MIT + license_family: MIT + run_exports: + weak: + - xorg-libxt >=1.3.1,<2.0a0 + size: 185960 + timestamp: 1731860774152 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/yaml-0.2.5-h925e9cb_3.conda + sha256: b03433b13d89f5567e828ea9f1a7d5c5d697bf374c28a4168d71e9464f5dafac + md5: 78a0fe9e9c50d2c381e8ee47e3ea437d + depends: + - __osx >=11.0 + license: MIT + license_family: MIT + run_exports: + weak: + - yaml >=0.2.5,<0.3.0a0 + size: 83386 + timestamp: 1753484079473 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/zeromq-4.3.5-h10816f8_11.conda + sha256: 01fd50d2801b23b59fafea6bf704a6c5faf0f5969104400eae0e6572cb2e5304 + md5: d31c0e54c4f9c51100ec8c812ee925d1 + depends: + - libcxx >=19 + - __osx >=11.0 + - krb5 >=1.22.2,<1.23.0a0 + - libsodium >=1.0.22,<1.0.23.0a0 + license: MPL-2.0 + license_family: MOZILLA + run_exports: + weak: + - zeromq >=4.3.5,<4.4.0a0 + size: 245404 + timestamp: 1779124076307 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.3.2-h8088a28_3.conda + sha256: ab46d85e4fcffff1b1c5cac517afa40b7ae784cf76fc9da1f55f6a6934291eb6 + md5: 2c966485853aa27985fbec7e3fcc4e77 + depends: + - __osx >=11.0 + - libzlib 1.3.2 h8088a28_3 + license: Zlib + license_family: Other + run_exports: + weak: + - libzlib >=1.3.2,<2.0a0 + size: 81744 + timestamp: 1785277062753 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-ng-2.3.3-hed4e4f5_1.conda + sha256: a339606a6b224bb230ff3d711e801934f3b3844271df9720165e0353716580d4 + md5: d99c2a23a31b0172e90f456f580b695e + depends: + - __osx >=11.0 + - libcxx >=19 + license: Zlib + license_family: Other + run_exports: + weak: + - zlib-ng >=2.3.3,<2.4.0a0 + size: 94375 + timestamp: 1770168363685 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/zstandard-0.25.0-py313h9734d34_1.conda + sha256: c8525ae1a739db3c9b4f901d08fd7811402cf46b61ddf5d63419a3c533e02071 + md5: 7ac13a947d4d9f57859993c06faf887b + depends: + - python + - cffi >=1.11 + - zstd >=1.5.7,<1.5.8.0a0 + - __osx >=11.0 + - python 3.13.* *_cp313 + - zstd >=1.5.7,<1.6.0a0 + - python_abi 3.13.* *_cp313 + license: BSD-3-Clause + license_family: BSD + run_exports: {} + size: 396449 + timestamp: 1762512722894 +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/zstd-1.5.7-hbf9d68e_6.conda + sha256: 9485ba49e8f47d2b597dd399e88f4802e100851b27c21d7525625b0b4025a5d9 + md5: ab136e4c34e97f34fb621d2592a393d8 + depends: + - __osx >=11.0 + - libzlib >=1.3.1,<2.0a0 + license: BSD-3-Clause + license_family: BSD + run_exports: + weak: + - zstd >=1.5.7,<1.6.0a0 + size: 433413 + timestamp: 1764777166076 diff --git a/pixi.toml b/pixi.toml new file mode 100644 index 0000000..a9c189f --- /dev/null +++ b/pixi.toml @@ -0,0 +1,13 @@ +[workspace] +channels = ["conda-forge"] +name = "openfe-demo" +platforms = ["osx-arm64", "linux-64"] +version = "0.1.0" + +[tasks] +demo= "jupyter notebook src/openfe_demo.ipynb" + +[dependencies] +python = "3.13.*" +openfe = "1.12.*" +notebook = "*"