├── .gitignore ├── LICENSE ├── README.md ├── code ├── preprocess_data.py ├── preprocess_data.sh ├── run_training.py └── run_training.sh ├── dataset ├── celegans │ ├── input │ │ └── radius2_ngram3 │ │ │ ├── Smiles.txt │ │ │ ├── adjacencies.npy │ │ │ ├── compounds.npy │ │ │ ├── fingerprint_dict.pickle │ │ │ ├── interactions.npy │ │ │ ├── proteins.npy │ │ │ └── word_dict.pickle │ └── original │ │ └── data.txt └── human │ ├── input │ └── radius2_ngram3 │ │ ├── Smiles.txt │ │ ├── adjacencies.npy │ │ ├── compounds.npy │ │ ├── fingerprint_dict.pickle │ │ ├── interactions.npy │ │ ├── proteins.npy │ │ └── word_dict.pickle │ └── original │ └── data.txt ├── learning_curves.jpeg ├── model.jpeg └── output ├── model ├── celegans--radius2--ngram3--dim10--layer_gnn3--window11--layer_cnn3--layer_output3--lr1e-3--lr_decay0.5--decay_interval10--weight_decay1e-6--iteration100 └── human--radius2--ngram3--dim10--layer_gnn3--window11--layer_cnn3--layer_output3--lr1e-3--lr_decay0.5--decay_interval10--weight_decay1e-6--iteration100 └── result ├── AUCs--celegans--radius2--ngram3--dim10--layer_gnn3--window11--layer_cnn3--layer_output3--lr1e-3--lr_decay0.5--decay_interval10--weight_decay1e-6--iteration100.txt └── AUCs--human--radius2--ngram3--dim10--layer_gnn3--window11--layer_cnn3--layer_output3--lr1e-3--lr_decay0.5--decay_interval10--weight_decay1e-6--iteration100.txt /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/masashitsubaki/CPI_prediction/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/masashitsubaki/CPI_prediction/HEAD/LICENSE -------------------------------------------------------------------------------- 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