# SSI-DDI

**Repository Path**: wangxiaolei21/SSI-DDI

## Basic Information

- **Project Name**: SSI-DDI
- **Description**: 使用化学子结构相互作用预测药物相互作用
substructure–substructure interactions for drug–drug interaction prediction
- **Primary Language**: Python
- **License**: Not specified
- **Default Branch**: master
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2022-04-27
- **Last Updated**: 2022-06-18

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

# SSI-DDI
Source code for ["SSI–DDI: substructure–substructure interactions for drug–drug interaction prediction"]( https://doi.org/10.1093/bib/bbab133) 
   
![Overview of SSI-DDI framework](Framework.png)  

 ## Implementation setup
The versions are optional, we expect the code to work with latest versions as well.
* Python == 3.7
* [PyTorch](https://pytorch.org/) == 1.6
* [PyTorch Geometry](https://pytorch-geometric.readthedocs.io/) == 1.6
* [rdkit](https://www.rdkit.org/) == 2020.09.2

## Usage
    python train_script.py <parameters>