requirements.txt

biopython==1.79
imageio==2.19.2
networkx==2.8.4
pandas==1.4.2
pytorch-lightning==2.2.1
rdkit-pypi==2022.3.2
scipy==1.7.3
scikit-learn
torch
torchvision
torchaudio
tqdm==4.64.0
wandb==0.12.16
matplotlib