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RedCDR

Source code for RedCDR: Dual Relation Distillation for Cancer Drug Response Prediction published in IEEE/ACM TCBB 2024.

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Requirements

This project was run in a conda virtual environment on Ubuntu 16.04 with CUDA 10.1.

  • python=3.6.13
  • torch==1.8.0
  • torch-cluster==1.5.9
  • torch-geometric==2.0.3
  • torch-scatter==2.0.6
  • torch-sparse==0.6.10
  • rdkit==2020.09.1.0
  • deepchem==2.5.0
  • pubchempy==1.0.4

Data preparation

Please unzip the file: data/Drug/drug_graph_feat.zip first.

Model training

  • python main_gdsc.py
  • python main_ccle.py

Acknowledgments

This project is built with the reference to the following open-source projects: GraphCDR, NIHGCN.

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