chembl-structure-pipeline==1.2.0
gpflow==2.8.0
imbalanced-learn==0.10.1
jupyter
ipykernel
matplotlib==3.6.0
pandas==1.4.0
rdkit==2022.9.5
scikit-learn==1.2.2
scipy==1.8.1
tensorflow==2.4.0
tensorflow-probability==0.12.1
tqdm==4.60.0
lightgbm==3.3.5
catboost==1.1.1
