├── .gitignore ├── LICENSE ├── README.md ├── __init__.py ├── config ├── graph_lanczos_net.yaml ├── qm8_ada_lanczos_net.yaml ├── qm8_cheby_net.yaml ├── qm8_dcnn.yaml ├── qm8_gat.yaml ├── qm8_gcn.yaml ├── qm8_gcnfp.yaml ├── qm8_ggnn.yaml ├── qm8_gpnn.yaml ├── qm8_graphsage.yaml ├── qm8_lanczos_net.yaml └── qm8_mpnn.yaml ├── data └── QM8 │ └── readme.txt ├── dataset ├── __init__.py ├── get_graph_data.py ├── get_qm8_data.py ├── graph_data.py └── qm8.py ├── model ├── __init__.py ├── ada_lanczos_net.py ├── cheby_net.py ├── dcnn.py ├── gat.py ├── gcn.py ├── gcnfp.py ├── ggnn.py ├── gpnn.py ├── graph_sage.py ├── lanczos_net.py ├── lanczos_net_general.py ├── mpnn.py └── set2set.py ├── operators ├── __init__.py ├── build_segment_reduction.py ├── functions │ ├── __init__.py │ └── unsorted_segment_sum.py ├── modules │ ├── __init__.py │ └── unsorted_segment_sum.py └── src │ ├── cuda │ ├── segment_reduction.cu │ ├── segment_reduction.cu.o │ └── segment_reduction.h │ ├── segment_reduction.cpp │ ├── segment_reduction.h │ ├── segment_reduction_cuda.cpp │ └── segment_reduction_cuda.h ├── requirements.txt ├── run_exp.py ├── runner ├── __init__.py ├── graph_runner.py └── qm8_runner.py ├── setup.sh └── utils ├── __init__.py ├── arg_helper.py ├── data_helper.py ├── logger.py ├── spectral_graph_partition.py └── train_helper.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lrjconan/LanczosNetwork/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lrjconan/LanczosNetwork/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/lrjconan/LanczosNetwork/HEAD/README.md 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