├── Code ├── build_vocab.py ├── dataset.py ├── main.py ├── main_pretraining.py ├── model.py ├── scripts.py ├── split.py └── utils.py ├── Data ├── davis.7z └── kiba.7z ├── LICENSE ├── Vocab ├── protein_vocab.pkl └── smiles_vocab.pkl ├── readme.md └── requirements.txt /Code/build_vocab.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Code/build_vocab.py -------------------------------------------------------------------------------- /Code/dataset.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Code/dataset.py -------------------------------------------------------------------------------- /Code/main.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Code/main.py -------------------------------------------------------------------------------- /Code/main_pretraining.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Code/main_pretraining.py -------------------------------------------------------------------------------- /Code/model.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Code/model.py -------------------------------------------------------------------------------- /Code/scripts.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Code/scripts.py -------------------------------------------------------------------------------- /Code/split.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Code/split.py -------------------------------------------------------------------------------- /Code/utils.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Code/utils.py -------------------------------------------------------------------------------- /Data/davis.7z: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Data/davis.7z -------------------------------------------------------------------------------- /Data/kiba.7z: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Data/kiba.7z -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/LICENSE -------------------------------------------------------------------------------- /Vocab/protein_vocab.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Vocab/protein_vocab.pkl -------------------------------------------------------------------------------- /Vocab/smiles_vocab.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/Vocab/smiles_vocab.pkl -------------------------------------------------------------------------------- /readme.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/readme.md -------------------------------------------------------------------------------- /requirements.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/hehh77/NHGNN-DTA/HEAD/requirements.txt --------------------------------------------------------------------------------