rdkit<2023.9.1,>=2022.9.2
numpy>=1.22.4
pandas>=1.5.0
scikit-learn>=1.3.0
scipy>=1.7.0
torch
fast-pytorch-kmeans>=0.1.9
fire>=0.5.0
tqdm>=4.48.0

[dev]
black==23.3.0
pytest==7.4.0
build==0.10.0
