├── .gitignore ├── DATA_CONFIGS ├── config_ZINC_full.yml └── config_alchemy_full.yml ├── DATA_SPLITS ├── ZINC_full │ └── ZINC_full_outer1_inner1.splits └── alchemy_full │ └── alchemy_full_outer1_inner1.splits ├── LICENSE ├── MODEL_CONFIGS ├── config_ZINC_full.yml └── config_alchemy_full.yml ├── README.md ├── gmdn.py ├── gmdn_conv.py ├── gmdn_dataset.py ├── gmdn_emission.py ├── gmdn_loss.py ├── gmdn_score.py ├── gmdn_transition.py ├── images └── gmdn.png └── transform.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/diningphil/graph-mixture-density-networks/HEAD/.gitignore -------------------------------------------------------------------------------- /DATA_CONFIGS/config_ZINC_full.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/diningphil/graph-mixture-density-networks/HEAD/DATA_CONFIGS/config_ZINC_full.yml 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