/HampDTI

A heterogeneous graph automatic meta-path learning method for drug-target interaction prediction

Primary LanguagePython

HampDTI

A heterogeneous graph automatic meta-path learning method for drug-target interaction prediction

Requirements

  • Pytorch 1.7.0
  • Numpy 1.19.2
  • Rdkit
  • pyG

Quick start

To reproduce our results: please run main.py. Options are:

--num_channels: the number of channels, default: 4

--num_layers: the maximum length of the learned meta-paths, default: 3

--alpha: hyperparameter in loss function, default: 0.4

-t: select experimental data, default: 'o'