smiles构建分子图时出现ModuleNotFoundError: No module named ‘torch_sparse‘等错误

pip install torch-scatter==latest+${CUDA} -f https://pytorch-geometric.com/whl/torch-${TORCH}.html
pip install torch-sparse==latest+${CUDA} -f https://pytorch-geometric.com/whl/torch-${TORCH}.html
pip install torch-cluster==latest+${CUDA} -f https://pytorch-geometric.com/whl/torch-${TORCH}.html
pip install torch-spline-conv==latest+${CUDA} -f https://pytorch-geometric.com/whl/torch-${TORCH}.html
pip install torch-geometric

${CUDA} and ${TORCH} should be replaced by your specific CUDA version (cpu, cu92, cu101, cu102) and PyTorch version (1.4.0, 1.5.0, 1.6.0), respectively.

原文链接：https://blog.csdn.net/Sinsinw/article/details/107823827