joblib>=1.3.0
loguru
numpy
pandas
rdkit>=2023.9.1
scipy
setuptools
scikit-learn>=1.4.0
typing_extensions

[all]
chemprop>=2.0.0
lightning
jupyterlab
seaborn

[chemprop]
chemprop>=2.0.0
lightning

[notebooks]
jupyterlab
seaborn
