hms-dbmi / Drug_Explorer

Interactive & explainable GNN for drug repurposing

A Visual Explanation Interface for GNN-based Drug Repurposing

Interactive Online Demo: http://drugexplorer.gehlenborglab.org
Preprint: https://osf.io/yhdpv

Code Structure

• drug_server/ includes the python files to access backend ML models
• src/ includes the typescript files to run the front-end visualization

This project is developed and tested using node@16.10.0 python@3.8.5

Quick Start

Download and unzip the quickstart.zip

cd drugExplorer_quickstart

Create virtual environment and install python dependencies

conda create --name dgl --file requirements.txt

run the python server

conda activate dgl
python application.py

go to localhost:8002 in your web browser

Run in Development Mode

front end

install front-end dependencies

npm install

run the front end

npm start

back end

back-end server dependencies

conda create --name dgl --file drug_server/requirements.txt

run the python server

conda activate dgl
python drug_server/application.py

go to localhost:3006 in your web browser