Xian-bin Ye, Quanlong Guan, Weiqi Luo, Liangda Fang, Zhao-Rong Lai, Jun Wang, Molecular Substructure Graph Attention Network for Molecular Property Identification in Drug Discovery, Pattern Recognition (2022). doi: https://doi.org/10.1016/j.patcog.2022.108659
Remember to install CUDA 12.1 before the training. More recent versions are still not compatible with PyTorch. Rememebr to install the version of DGL compatible with CUDA 12.1.