├── .gitignore ├── README.md ├── data ├── GP_sig_df.pkl ├── input │ └── example_input_smiles.pkl └── output │ └── Selumetinib.csv ├── model.py └── prediction.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/dmis-lab/moable/HEAD/.gitignore -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/dmis-lab/moable/HEAD/README.md -------------------------------------------------------------------------------- /data/GP_sig_df.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/dmis-lab/moable/HEAD/data/GP_sig_df.pkl -------------------------------------------------------------------------------- /data/input/example_input_smiles.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/dmis-lab/moable/HEAD/data/input/example_input_smiles.pkl -------------------------------------------------------------------------------- /data/output/Selumetinib.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/dmis-lab/moable/HEAD/data/output/Selumetinib.csv -------------------------------------------------------------------------------- /model.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/dmis-lab/moable/HEAD/model.py -------------------------------------------------------------------------------- /prediction.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/dmis-lab/moable/HEAD/prediction.py --------------------------------------------------------------------------------