Han X, Xie R, Li X, et al. SmileGNN: Drug–Drug Interaction Prediction Based on the SMILES and Graph Neural Network[J]. Life, 2022, 12(2): 319.
See requirement.txt
It is suggested to build a conda environment.
Git clone the whole project.
pip install -r requirement.txt
python run.py
You can find KEGG data that has been processed as a knowledge graph here.
The unprocessed PDD data can be found here.
The SMILES are downloaded from DrugBank.
Please cite the following paper if you find this repository useful.
@article{han2022smilegnn,
title={SmileGNN: Drug--Drug Interaction Prediction Based on the SMILES and Graph Neural Network},
author={Han, Xueting and Xie, Ruixia and Li, Xutao and Li, Junyi},
journal={Life},
volume={12},
number={2},
pages={319},
year={2022},
publisher={MDPI}
}