openadmet-predictions-demo / requirements.txt
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numpy
pandas
scikit-learn
rich
intake
joblib
zarr
ipython
jupyterlab
rdkit
molfeat
datamol
mordredcommunity
lightgbm
seaborn
splito
umap-learn
modal
chemprop>=2.1.1
torch
pytorch-lightning
wandb
pytest
pytest-cov
codecov
phx-class-registry
email-validator
streamlit-ketcher
git+https://github.com/OpenADMET/openadmet_models.git