This repository contains the code and data for "Multi-way relation-enhanced hypergraph representation learning for anti-cancer 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/HypergraphSynergy
# for classification experiment
python main.py
# for regression experiment
python main_reg.py