requirements.txt

biopython==1.79
imageio==2.19.2
networkx==2.8.4
pandas==1.4.2
pytorch-lightning==1.6.3
rdkit-pypi==2022.3.2
scipy==1.7.3
scikit-learn==1.0.1
torch==1.11.0 
torchvision==0.12.0 
torchaudio==0.11.0
tqdm==4.64.0
wandb==0.12.16