MolTools

MolTools is a web-based toolbelt for visualizing and analyzing natural product compounds.

Visit the MolTools toolbelt here.

Run locally for development

Server

Create a local environment and install server side dependencies with pip from src/server/requirements.txt:

pip install -r src/server/requirements.txt

Client

First install NPM package manager and Node.js on your device.

Then install client side dependencies with NPM from src/client/package.json:

cd src/client
npm install

Run

Run the server in one terminal:

python3 ./app/server/api.py

Run the client in another terminal:

cd src/client
npm start

Visit http://localhost:3000/ to view the app.

Run with Docker

Run the following script to build and runt he app in a Docker container:

docker-compose -p moltools up --build --force-recreate --remove-orphans -d

The app will be available at https://localhost:4001/.