joblib>=1.3.0
loguru>=0.7.3
matplotlib>=3.10.1
numpy>=1.26.4
pandas>=2.2.3
rdkit>=2023.9.1
scikit-learn>=1.6.0
scipy>=1.15.2
shap>=0.47.1
typing-extensions>=4.13.1

[chemprop]
chemprop<=2.0.4,>=2.0.3
lightning>=2.5.1

[notebooks]
jupyterlab>=4.4.0
seaborn>=0.13.2
