/MSAN

Molecular Substructure-Aware Network for Drug-Drug Interaction Prediction

Primary LanguagePython

MSAN

Molecular Substructure-Aware Network for Drug-Drug Interaction Prediction

Requirements

  • torch==1.9.1
  • torch-geometric==2.0.4

Run

Run by command line, e.g.:

python ddi_main.py --device cuda --dataset DrugBank --hidden_dim 128 --num_patterns 60 --batch_size 256

For detailed command line options, see ddi_main.py