rdkit-pypi==2021.3.1
numpy==1.20.0
scikit-learn==0.24.1
scipy==1.3.1
sympy==1.6
torch==1.4.0
torchvision==0.5.0
https://pytorch-geometric.com/whl/torch-1.4.0/torch_scatter-2.0.4%2Bcu101-cp37-cp37m-linux_x86_64.whl
https://pytorch-geometric.com/whl/torch-1.4.0/torch_sparse-0.6.0%2Bcu101-cp37-cp37m-linux_x86_64.whl
https://pytorch-geometric.com/whl/torch-1.4.0/torch_cluster-1.5.4%2Bcu101-cp37-cp37m-linux_x86_64.whl
torch-geometric==1.4.2
git+https://github.com/ildoonet/pytorch-gradual-warmup-lr.git
