tox21_chemprop_classifier / requirements.txt
Sonja Topf
maybe fixed bug
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fastapi
uvicorn[standard]
python-dotenv
torch==2.3.0
torch-geometric==2.6.1
pydantic
pandas==2.2.2
numpy==1.26.2
scikit-learn==1.7.1
rdkit-pypi
datasets
chemprop==2.2.1