├── GraphClassificationData ├── COLLAB │ ├── 10fold_idx │ │ ├── test_idx-1.txt │ │ ├── test_idx-10.txt │ │ ├── test_idx-2.txt │ │ ├── test_idx-3.txt │ │ ├── test_idx-4.txt │ │ ├── test_idx-5.txt │ │ ├── test_idx-6.txt │ │ ├── test_idx-7.txt │ │ ├── test_idx-8.txt │ │ ├── test_idx-9.txt │ │ ├── train_idx-1.txt │ │ ├── train_idx-10.txt │ │ ├── train_idx-2.txt │ │ ├── train_idx-3.txt │ │ ├── train_idx-4.txt │ │ ├── train_idx-5.txt │ │ ├── train_idx-6.txt │ │ ├── train_idx-7.txt │ │ ├── train_idx-8.txt │ │ └── train_idx-9.txt │ ├── COLLAB.mat │ └── COLLAB.zip ├── DD │ ├── 10fold_idx │ │ ├── test_idx-1.txt │ │ ├── test_idx-10.txt │ │ ├── test_idx-2.txt │ │ ├── test_idx-3.txt │ │ ├── test_idx-4.txt │ │ ├── test_idx-5.txt │ │ ├── test_idx-6.txt │ │ ├── test_idx-7.txt │ │ ├── test_idx-8.txt │ │ ├── test_idx-9.txt │ │ ├── train_idx-1.txt │ │ ├── train_idx-10.txt │ │ ├── train_idx-2.txt │ │ ├── train_idx-3.txt │ │ ├── train_idx-4.txt │ │ ├── train_idx-5.txt │ │ ├── train_idx-6.txt │ │ ├── train_idx-7.txt │ │ ├── train_idx-8.txt │ │ └── train_idx-9.txt │ ├── DD.mat │ └── DD.txt ├── ENZYMES │ ├── 10fold_idx │ │ ├── test_idx-1.txt │ │ ├── test_idx-10.txt │ │ ├── test_idx-2.txt │ │ ├── test_idx-3.txt │ │ ├── test_idx-4.txt │ │ ├── test_idx-5.txt │ │ ├── test_idx-6.txt │ │ ├── test_idx-7.txt │ │ ├── test_idx-8.txt │ │ ├── test_idx-9.txt │ │ ├── train_idx-1.txt │ │ ├── train_idx-10.txt │ │ ├── train_idx-2.txt │ │ ├── train_idx-3.txt │ │ ├── train_idx-4.txt │ │ ├── train_idx-5.txt │ │ ├── train_idx-6.txt │ │ ├── train_idx-7.txt │ │ ├── train_idx-8.txt │ │ └── train_idx-9.txt │ ├── ENZYMES.mat │ └── ENZYMES.txt ├── IMDBBINARY │ ├── 10fold_idx │ │ ├── test_idx-1.txt │ │ ├── test_idx-10.txt │ │ ├── test_idx-2.txt │ │ ├── test_idx-3.txt │ │ ├── test_idx-4.txt │ │ ├── test_idx-5.txt │ │ ├── test_idx-6.txt │ │ ├── test_idx-7.txt │ │ ├── test_idx-8.txt │ │ ├── test_idx-9.txt │ │ ├── train_idx-1.txt │ │ ├── train_idx-10.txt │ │ ├── train_idx-2.txt │ │ ├── train_idx-3.txt │ │ ├── train_idx-4.txt │ │ ├── train_idx-5.txt │ │ ├── train_idx-6.txt │ │ ├── train_idx-7.txt │ │ ├── train_idx-8.txt │ │ └── train_idx-9.txt │ ├── IMDBBINARY.mat │ └── IMDBBINARY.txt ├── IMDBMULTI │ ├── 10fold_idx │ │ ├── test_idx-1.txt │ │ ├── test_idx-10.txt │ │ ├── test_idx-2.txt │ │ ├── test_idx-3.txt │ │ ├── test_idx-4.txt │ │ ├── test_idx-5.txt │ │ ├── test_idx-6.txt │ │ ├── test_idx-7.txt │ │ ├── test_idx-8.txt │ │ ├── test_idx-9.txt │ │ ├── train_idx-1.txt │ │ ├── train_idx-10.txt │ │ ├── train_idx-2.txt │ │ ├── train_idx-3.txt │ │ ├── train_idx-4.txt │ │ ├── train_idx-5.txt │ │ ├── train_idx-6.txt │ │ ├── train_idx-7.txt │ │ ├── train_idx-8.txt │ │ └── train_idx-9.txt │ ├── IMDBMULTI.mat │ └── IMDBMULTI.txt └── PROTEINS │ ├── 10fold_idx │ ├── test_idx-1.txt │ ├── test_idx-10.txt │ ├── test_idx-2.txt │ ├── test_idx-3.txt │ ├── test_idx-4.txt │ ├── test_idx-5.txt │ ├── test_idx-6.txt │ ├── test_idx-7.txt │ ├── test_idx-8.txt │ ├── test_idx-9.txt │ ├── train_idx-1.txt │ ├── train_idx-10.txt │ ├── train_idx-2.txt │ ├── train_idx-3.txt │ ├── train_idx-4.txt │ ├── train_idx-5.txt │ ├── train_idx-6.txt │ ├── train_idx-7.txt │ ├── train_idx-8.txt │ └── train_idx-9.txt │ ├── PROTEINS.mat │ └── PROTEINS.txt ├── LICENSE ├── README.md ├── images ├── GXNstructure.png └── readme.md ├── lib ├── Makefile ├── build │ ├── dll │ │ ├── libgnn.d │ │ └── libgnn.so │ └── lib │ │ ├── config.d │ │ ├── config.o │ │ ├── graph_struct.d │ │ ├── graph_struct.o │ │ ├── msg_pass.d │ │ └── msg_pass.o ├── gnn_lib.py ├── include │ ├── config.h │ ├── gnn_lib.h │ ├── graph_struct.h │ └── msg_pass.h ├── pytorch_util.py └── src │ ├── gnn_lib.cpp │ └── lib │ ├── config.cpp │ ├── graph_struct.cpp │ └── msg_pass.cpp ├── main.py ├── mlp_dropout.py ├── network.py ├── ops.py ├── pytorch_structure2vec-master ├── LICENSE ├── README.md ├── graph_classification │ ├── main.py │ ├── run.sh │ └── util.py ├── harvard_cep │ ├── Makefile │ ├── data │ │ └── placeholder │ ├── include │ │ ├── mol_lib.h │ │ 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