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15 lines
206 B
YAML
15 lines
206 B
YAML
name: openfe_env
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channels:
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- conda-forge
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dependencies:
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- cudatoolkit==11.8
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- jupyterlab
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- notebook
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- openfe
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- pip
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- py3dmol
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- pytest
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- pytest-xdist
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- python==3.12.*
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- rdkit==2025.09.1
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