├── NGF ├── __init__.py ├── features.license.txt ├── features.py ├── layers.py ├── models.py ├── preprocessing.py ├── sparse.py └── utils.py ├── README.md ├── data ├── Karthikeyan_MeltingPoints_data.npy ├── Karthikeyan_MeltingPoints_labels.npy ├── Melting_Points_(Karthikeyan).txt ├── data.license.txt ├── delaney.csv ├── delaney_data.npy └── delaney_labels.npy ├── examples.py ├── license.txt └── utils.py /NGF/__init__.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/keiserlab/keras-neural-graph-fingerprint/HEAD/NGF/__init__.py -------------------------------------------------------------------------------- /NGF/features.license.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/keiserlab/keras-neural-graph-fingerprint/HEAD/NGF/features.license.txt -------------------------------------------------------------------------------- /NGF/features.py: 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