rdkit-pypi==2022.3.5
smilespe==0.0.3
seaborn==0.12.0
joblib==1.1.0
pillow==8.4.0
h5py==3.1.0
shap==0.41.0

[deep_learning]
torch==1.12.1
torchvision==0.13.1
torchaudio==0.12.1
dgl==0.9.1
deepchem==2.5.0
tensorflow==2.10.0

[machine_learning]
boruta==0.3

[preprocessing]
gensim==4.2.0

[testing]
pytest>=7.1.1
pytest-cov>=3.0.0
mypy>=0.942
flake8>=4.0.1
tox>=3.25.0
