torch>=1.10.0
torchvision>=0.11.0
torchaudio>=0.10.0
torch_geometric>=2.0.3
torch_cluster>=1.5.9
torch_scatter>=2.0.9
torch_sparse>=0.6.12
torch_spline_conv>=1.2.1
rdkit
wandb
joblib
openpyxl
pubchempy
