├── .gitignore ├── LICENSE ├── README.md ├── ogbg └── mol │ ├── main.py │ ├── model.py │ ├── ogbg-molpcba.json │ ├── run_script.sh │ └── utils │ ├── data_preparation.py │ ├── filter.py │ └── mol_encoder.py ├── tu ├── configs │ ├── ENZYMES.json │ ├── NCI1.json │ ├── NCI109.json │ └── PTC_MR.json ├── main.py ├── model.py ├── run_script.sh └── tu_dataloader.py ├── utils ├── basis_transform.py ├── config.py ├── jumping_knowledge.py └── lr.py └── zinc ├── ZINC.json ├── data_preparation.py ├── download.sh ├── main.py ├── model.py ├── run_script.sh └── script_download_dataset.sh /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/qslim/gnn-spectrum/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/qslim/gnn-spectrum/HEAD/LICENSE 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