build(deps): bump the production group across 1 directory with 17 updates - #23
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…ates Bumps the production group with 16 updates in the / directory: | Package | From | To | | --- | --- | --- | | [numpy](https://github.com/numpy/numpy) | `2.4.2` | `2.5.2` | | [pydantic](https://github.com/pydantic/pydantic) | `2.12.5` | `2.13.4` | | [scikit-fingerprints](https://github.com/scikit-fingerprints/scikit-fingerprints) | `1.18.0` | `2.0.0` | | [scikit-learn](https://github.com/scikit-learn/scikit-learn) | `1.8.0` | `1.9.0` | | [scipy](https://github.com/scipy/scipy) | `1.17.1` | `1.18.0` | | [umap-learn](https://github.com/lmcinnes/umap) | `0.5.11` | `0.5.12` | | [mlflow-skinny](https://github.com/mlflow/mlflow) | `3.10.0` | `3.15.1` | | [plotly](https://github.com/plotly/plotly.py) | `6.5.2` | `6.9.0` | | [fastparquet](https://github.com/dask/fastparquet) | `2026.3.0` | `2026.5.0` | | [torch](https://github.com/pytorch/pytorch) | `2.9.1` | `2.13.0` | | [torch-geometric](https://github.com/pyg-team/pytorch_geometric) | `2.7.0` | `2.8.0.post1` | | [optuna](https://github.com/optuna/optuna) | `4.7.0` | `4.9.0` | | [optuna-integration](https://github.com/optuna/optuna-integration) | `4.7.0` | `4.9.0` | | [transformers](https://github.com/huggingface/transformers) | `4.57.6` | `5.15.0` | | [chemprop](https://github.com/chemprop/chemprop) | `2.2.2` | `2.3.1` | | [myst-parser](https://github.com/executablebooks/MyST-Parser) | `4.0.1` | `5.1.0` | Updates `numpy` from 2.4.2 to 2.5.2 - [Release notes](https://github.com/numpy/numpy/releases) - [Changelog](https://github.com/numpy/numpy/blob/main/doc/RELEASE_WALKTHROUGH.rst) - [Commits](numpy/numpy@v2.4.2...v2.5.2) Updates `pydantic` from 2.12.5 to 2.13.4 - [Release notes](https://github.com/pydantic/pydantic/releases) - [Changelog](https://github.com/pydantic/pydantic/blob/main/HISTORY.md) - [Commits](pydantic/pydantic@v2.12.5...v2.13.4) Updates `scikit-fingerprints` from 1.18.0 to 2.0.0 - [Release notes](https://github.com/scikit-fingerprints/scikit-fingerprints/releases) - [Commits](MLCIL/scikit-fingerprints@v1.18.0...v2.0.0) Updates `scikit-learn` from 1.8.0 to 1.9.0 - [Release notes](https://github.com/scikit-learn/scikit-learn/releases) - [Commits](scikit-learn/scikit-learn@1.8.0...1.9.0) Updates `scipy` from 1.17.1 to 1.18.0 - [Release notes](https://github.com/scipy/scipy/releases) - [Commits](scipy/scipy@v1.17.1...v1.18.0) Updates `umap-learn` from 0.5.11 to 0.5.12 - [Release notes](https://github.com/lmcinnes/umap/releases) - [Changelog](https://github.com/lmcinnes/umap/blob/master/doc/release_notes.rst) - [Commits](lmcinnes/umap@release-0.5.11...release-0.5.12) Updates `mlflow-skinny` from 3.10.0 to 3.15.1 - [Release notes](https://github.com/mlflow/mlflow/releases) - [Changelog](https://github.com/mlflow/mlflow/blob/master/CHANGELOG.md) - [Commits](mlflow/mlflow@v3.10.0...v3.15.1) Updates `plotly` from 6.5.2 to 6.9.0 - [Release notes](https://github.com/plotly/plotly.py/releases) - [Changelog](https://github.com/plotly/plotly.py/blob/main/CHANGELOG.md) - [Commits](plotly/plotly.py@v6.5.2...v6.9.0) Updates `mlflow` from 3.10.0 to 3.15.1 - [Release notes](https://github.com/mlflow/mlflow/releases) - [Changelog](https://github.com/mlflow/mlflow/blob/master/CHANGELOG.md) - [Commits](mlflow/mlflow@v3.10.0...v3.15.1) Updates `fastparquet` from 2026.3.0 to 2026.5.0 - [Commits](dask/fastparquet@2026.3.0...2026.5.0) Updates `torch` from 2.9.1 to 2.13.0 - [Release notes](https://github.com/pytorch/pytorch/releases) - [Changelog](https://github.com/pytorch/pytorch/blob/main/RELEASE.md) - [Commits](pytorch/pytorch@v2.9.1...v2.13.0) Updates `torch-geometric` from 2.7.0 to 2.8.0.post1 - [Release notes](https://github.com/pyg-team/pytorch_geometric/releases) - [Changelog](https://github.com/pyg-team/pytorch_geometric/blob/2.8.0.post1/CHANGELOG.md) - [Commits](pyg-team/pytorch_geometric@2.7.0...2.8.0.post1) Updates `optuna` from 4.7.0 to 4.9.0 - [Release notes](https://github.com/optuna/optuna/releases) - [Commits](optuna/optuna@v4.7.0...v4.9.0) Updates `optuna-integration` from 4.7.0 to 4.9.0 - [Release notes](https://github.com/optuna/optuna-integration/releases) - [Commits](optuna/optuna-integration@v4.7.0...v4.9.0) Updates `transformers` from 4.57.6 to 5.15.0 - [Release notes](https://github.com/huggingface/transformers/releases) - [Commits](huggingface/transformers@v4.57.6...v5.15.0) Updates `chemprop` from 2.2.2 to 2.3.1 - [Release notes](https://github.com/chemprop/chemprop/releases) - [Commits](chemprop/chemprop@v2.2.2...v2.3.1) Updates `myst-parser` from 4.0.1 to 5.1.0 - [Release notes](https://github.com/executablebooks/MyST-Parser/releases) - [Changelog](https://github.com/executablebooks/MyST-Parser/blob/master/CHANGELOG.md) - [Commits](executablebooks/MyST-Parser@v4.0.1...v5.1.0) --- updated-dependencies: - dependency-name: chemprop dependency-version: 2.3.1 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: fastparquet dependency-version: 2026.5.0 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: mlflow dependency-version: 3.15.1 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: mlflow-skinny dependency-version: 3.15.1 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: myst-parser dependency-version: 5.1.0 dependency-type: direct:production update-type: version-update:semver-major dependency-group: production - dependency-name: numpy dependency-version: 2.5.1 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: optuna dependency-version: 4.9.0 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: optuna-integration dependency-version: 4.9.0 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: plotly dependency-version: 6.9.0 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: pydantic dependency-version: 2.13.4 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: scikit-fingerprints dependency-version: 2.0.0 dependency-type: direct:production update-type: version-update:semver-major dependency-group: production - dependency-name: scikit-learn dependency-version: 1.9.0 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: scipy dependency-version: 1.18.0 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: torch dependency-version: 2.13.0 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: torch-geometric dependency-version: 2.8.0.post1 dependency-type: direct:production update-type: version-update:semver-minor dependency-group: production - dependency-name: transformers dependency-version: 5.14.1 dependency-type: direct:production update-type: version-update:semver-major dependency-group: production - dependency-name: umap-learn dependency-version: 0.5.12 dependency-type: direct:production update-type: version-update:semver-patch dependency-group: production ... 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Bumps the production group with 16 updates in the / directory:
2.4.22.5.22.12.52.13.41.18.02.0.01.8.01.9.01.17.11.18.00.5.110.5.123.10.03.15.16.5.26.9.02026.3.02026.5.02.9.12.13.02.7.02.8.0.post14.7.04.9.04.7.04.9.04.57.65.15.02.2.22.3.14.0.15.1.0Updates
numpyfrom 2.4.2 to 2.5.2Release notes
Sourced from numpy's releases.
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Commits
48feceeREL: Prepare for the NumPy 2.5.2 release (#32226)ecf599cMerge pull request #32221 from charris/backport-321513c7ac97Merge pull request #32220 from charris/backport-3220523b30f4BUG: avoid segfaults when legacy copyswap slot is not defined (#32151)4964ca8TYP:iscloseshape-typing fix for 2d array-likes (#32205)c37ed94MAINT: Skip limited_api tests on some platforms. (#32214)5cfd73bMerge pull request #32206 from charris/update-cibuildwheeld8262bcMAINT: Update cibuildwheel to v4.2.0988d94dMerge pull request #32158 from charris/backport-32133b2e4f97BUG: avoid possible stack overflow in arraydescr_dealloc (#32133)Updates
pydanticfrom 2.12.5 to 2.13.4Release notes
Sourced from pydantic's releases.
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Changelog
Sourced from pydantic's changelog.
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Commits
cf67d4bFix lintingf0d8a21Prepare release v2.13.45e3fe1dCheck for pydantic tag pattern in CI7f9edccDocument tagging conventionsb46a0c9Adaptpydantic-corelinker flags on macOS50629c8Update to PyPy 7.3.228522ebbPreserveRootModelcore metadataa37f3afAdaptMISSINGsentinel test to work with unreleasedtyping_extensionsver...909259aRemove Logfire example in documentation2c4174cBump libc from 0.2.155 to 0.2.185Updates
scikit-fingerprintsfrom 1.18.0 to 2.0.0Release notes
Sourced from scikit-fingerprints's releases.
Commits
2dd390bFixed random_state parameter documentation and implementation (#532)e78407cAdd HP tuning scikit-fingeprint vs scikit-klearn benchmark (#536)0aa3f28Expand random_state type hints to accept RandomState (#527)533a42eAdd Klekota-Roth SKFP vs CDK comparison (#533)d6a6afcAdd multithreading to MolFromSDFTransformer [Issue 467] (#526)0eb7623Add Tanimoto scikit-fingerprints vs RDKit benchmark (#530)b0d7961Add LRGB only valid sequences option (#529)a881f2cAdd MaxMin clustering for binary molecular fingerprints (#512)e4895edMAP4 implementation fixes (#528)6c8b6b3Fix chirality bug in MAPFingerprint using full molecule instead of substructu...Updates
scikit-learnfrom 1.8.0 to 1.9.0Release notes
Sourced from scikit-learn's releases.
Commits
77def0etrigger wheel builder [cd build]ee7c0b0generate changelog3d7fb04bump version8954e7bDOC Release highlights for 1.9 (#34147)73a3eabFix: Array-API - avoid failing for numpy fit + predict with sparse or array-l...8839aaeDOC Thread-safety requirement for open_listener message consumer callback (#3...4d2476aDOC Refactor array API docs page (#34054)f9f812f🔒 🤖 CI Update lock files for scipy-dev CI build(s) 🔒 🤖 ...d779dc3🔒 🤖 CI Update lock files for free-threaded CI build(s) 🔒 :rob...6a03cf0🔒 🤖 CI Update lock files for array-api CI build(s) 🔒 🤖 ...Updates
scipyfrom 1.17.1 to 1.18.0Release notes
Sourced from scipy's releases.
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Commits
54ef542REL: 1.18.0 release commita45e463Merge pull request #25395 from tylerjereddy/treddy_prep_1.18.0_finalee2442eTYP, MAINT, TST: PR 25395 revisions3225154DOC: PR 25395 revisions14c7bd7TYP: Fix mypy errors withpytest==9.1.0(#25410)71522e9DOC: revise SciPy 1.18.0 release notes92f8482MAINT: fix errors from pytest 9.1 (#25378)7b27bf4TST, MAINT: modernize spatial tests for pytest 10 (#25376)d05b640Merge pull request #25347 from tylerjereddy/treddy_version_bump_1.18.0rc3e60fe8bREL: set to 1.18.0rc3 unreleasedUpdates
umap-learnfrom 0.5.11 to 0.5.12Release notes
Sourced from umap-learn's releases.
Commits
cdb0eebMerge pull request #1250 from lmcinnes/issue_1216f30d372version bump6927806Just remove fastmath7a7bc24Merge pull request #1249 from M4rk0st0j/master1642ec6Merge pull request #1248 from jh83775/grad-fixe45dc6dUpdate parametric_umap.pydc05089guard hellinger_grad against tiny negativesafd16c8formatting31e484dadd tests for softmax_hellinger6d7be7dfix hellinger output type; add softmax_hellingerUpdates
mlflow-skinnyfrom 3.10.0 to 3.15.1Release notes
Sourced from mlflow-skinny's releases.
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Changelog
Sourced from mlflow-skinny's changelog.
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Commits
9a1c0d9Skipenv_packon ARM client images (#24762)20d1524Updateuv.lock(#24836)f560bc7Bump version to 3.15.1 (#24817)4debaa7Harden version parsing against missing/non-PEP440 versions on Databricks Serv...fae40a0Clarify scorer versioning documentation (#24769) (#24805)d0f3152Fix traces shared-view banner bleeding into non-saved-view pages (#24785) (#2...58452f5Bump version to 3.15.0 (#24757)222f8e2Update ML package versions for 3.15.0 (#24753)569841aUpdate requirements.yaml files for 3.15.0 (#24752)b3662f0Computemlflow.llm.costfor Claude Code plugin traces on Databricks (#24416)Updates
plotlyfrom 6.5.2 to 6.9.0Release notes
Sourced from plotly's releases.
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Changelog
Sourced from plotly's changelog.