scipy>=1.5.4
numpy>=1.19.2
pandas>=1.1.5
matplotlib>=3.3.3
torch>=0.4.1
torchvision==0.8.1
torchaudio==0.7.0
torch_scatter==2.0.5
torch_sparse==0.6.8
torch_cluster==1.5.8
torch_spline_conv==1.2.0
torch-geometric==1.6.3
scikit-learn>=0.23.2
texttable>=1.6.3
biopython>=1.77
freesasa==2.0.5.post2
loguru>=0.6.0
