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@jscgh
jscgh committed Dec 11, 2024
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2 changes: 1 addition & 1 deletion dockerfiles/hf3_environment.yaml
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Expand Up @@ -31,5 +31,5 @@ dependencies:
- ml-collections==0.1.0
- pandas==1.3.4
- scipy==1.9.0
- rdkit-pypi==2022.9.5
- rdkit-pypi==2022.9.5
- posebusters

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