├── README.md ├── mlp.py ├── pcba.py ├── requirements.txt ├── rf.py ├── run.sh └── xgb.py /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/taneishi/DeepLBVS/HEAD/README.md -------------------------------------------------------------------------------- /mlp.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/taneishi/DeepLBVS/HEAD/mlp.py -------------------------------------------------------------------------------- /pcba.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/taneishi/DeepLBVS/HEAD/pcba.py -------------------------------------------------------------------------------- /requirements.txt: -------------------------------------------------------------------------------- 1 | torch 2 | numpy 3 | scikit-learn 4 | xgboost 5 | pandas 6 | rdkit-pypi 7 | -------------------------------------------------------------------------------- /rf.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/taneishi/DeepLBVS/HEAD/rf.py -------------------------------------------------------------------------------- /run.sh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/taneishi/DeepLBVS/HEAD/run.sh -------------------------------------------------------------------------------- /xgb.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/taneishi/DeepLBVS/HEAD/xgb.py --------------------------------------------------------------------------------