hyperopt>=0.2.3
matplotlib>=3.1.3
numpy>=1.18.1
pandas>=1.0.3
pip>=20.0.2
scikit-learn>=1.4
scipy>=1.4.1
setuptools<82
tensorboardX>=2.0
torch>=2.6
tqdm>=4.45.0
typed-argument-parser>=1.6.1
rdkit>=2020.03.1.0
ipykernel
huggingface_hub

[dev]
build
twine

[test]
pytest>=6.2.2
parameterized>=0.8.1
