numpy~=1.23.2 pandas~=1.4.4 scipy~=1.9.1 joblib~=1.1.0 sklearn~=0.0 scikit-learn~=1.1.2 requests~=2.28.1 rdchiral~=1.1.0 rdkit~=2022.3.4 setuptools~=60.2.0 gradio~=3.3.1 Pillow~=9.2.0 matplotlib~=3.5.3 torch~=1.12.1 wandb~=0.13.2 tqdm~=4.64.1 swifter~=1.3.4