SSI-DDI

Source code for "SSI–DDI: substructure–substructure interactions for drug–drug interaction prediction"

Implementation setup

The versions are optional, we expect the code to work with latest versions as well.

• Python == 3.7
• PyTorch == 1.6
• PyTorch Geometry == 1.6
• rdkit == 2020.09.2

Usage

python train_script.py <parameters>