This repository contains the code and data for "Multimodal hypergraph representation learning for drug synergy prediction"
- python 3.7
- deepchem >= 2.5
- numpy >= 1.19
- pandas >= 1.3
- pytorch >= 1.8.0
- pytorch geometric >= 2.0.0
- scikit-learn >= 1.0.2
- rdkit >= 2020.09.1
cd Model/MHGSynergy
# for classification experiment
python main.py
# for regression experiment
python main_reg.pyAuthor: Zheng Zhang
Maintainer: Zheng Zhang
Mail: m15629585255@163.com
Corresponding author: Xian-gan Chen Mail: chenxg@mail.scuec.edu.cn
Date: 2026-3-6
School of Biomedical Engineering, South-Central Minzu University, China
This code framework is modified based on the HyperGraphSynergy method.
https://github.com/liuxuan666/HypergraphSynergy
Feel free to cite this work if you find it useful to you !
@article{MHGSynergy,
title = Multimodal hypergraph representation learning for drug synergy prediction,
author = {Zheng Zhang, Tong Luo, Xian-gan Chen, Xiaofei Yang, Jihong Gong},
year = {2026},
volume = {23},
issue = {1},
page = {518-527},
journal = {IEEE Transactions on Computational Biology and Bioinformatics},
doi = {10.1109/TCBBIO.2025.3648991},
}