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