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1 parent 82107b3 commit 4c7718dCopy full SHA for 4c7718d
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environment.yaml
@@ -2,27 +2,16 @@ name: openfe-notebooks
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channels:
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- conda-forge
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dependencies:
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- - MDAnalysis
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- coverage
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- ipywidgets
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- - lomap2
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- lxml
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- - mdtraj
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- nbval
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- - networkx
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- nglview
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- notebook
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- - openff-forcefields
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- - openmm
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- - openmmtools>=0.23.0
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- pip
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- - pymbar
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- pytest
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- pytest-cov
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- pytest-xdist
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- python
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- - rdkit
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- - typing_extensions
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- gufe>=1.7.0
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- openfe>=1.7.0
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- - py3dmol
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