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https://github.com/kanz76/SSI-DDI

Last synced: 3 months ago
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Host: GitHub
URL: https://github.com/kanz76/SSI-DDI
Owner: kanz76
Created: 2021-01-05T02:02:42.000Z (almost 4 years ago)
Default Branch: master
Last Pushed: 2021-06-17T01:55:14.000Z (over 3 years ago)
Last Synced: 2024-06-29T07:47:41.510Z (4 months ago)
Language: Jupyter Notebook
Size: 6.44 MB
Stars: 25
Watchers: 1
Forks: 6
Open Issues: 1
Metadata Files:
- Readme: README.md

Awesome Lists containing this project

StarryDivineSky - kanz76/SSI-DDI

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