zzhzd/ddi

CNN-Siam: Multimodal Siamese CNN-based deep learning approach for drug‒drug interaction prediction

DDI.ipynb: The code for the DDI task.
data.zip: Contains event.db file, which includes 572 drugs with chemical substructure(smile form), targets, enzyme and pathways.
Ranger-Optimizer: Ranger optimizer sourece codes for PyTorch.

About CNN-Siam:

• Architecture: Siamese 1-Dimensional CNN
• Trick:
  • Residual-connection,
  • Ranger(RAdam+LookAhead),
  • Mixup,
  • Focal-loss,
  • Sum embeddings of durg pair
• Hyperparameters:
  • batch_size=256,
  • lr=1e-3,
  • weight_decay=1e-3,
  • epochs=100,
  • mixup_alpha=0.2,
  • focal_gamma=2.0,
  • Tmax=epochs