Molvis is an interactive molecular visualization toolkit built on top of Babylon.js. This repository is organized as a monorepo containing multiple packages:

• core/ – the TypeScript library that implements the rendering engine and main API.
• standalone/ – a React based web application for exploring molecules in the browser.
• widget/ – a Python package that provides a Jupyter widget.

Install all dependencies:

npm install

During development you can run each package individually:

npm run dev:core        # develop the core library
npm run dev:standalone  # start the standalone web app
npm run dev:widget      # build the Jupyter widget in watch mode

A minimal example using the core library looks like the following:

import { Molvis } from 'molvis';

const canvas = document.querySelector('canvas') as HTMLCanvasElement;
const app = new Molvis(canvas);
app.render();

This renders and updates the molecular scene on the provided <canvas> element. The widget package exposes similar functionality inside Jupyter notebooks.

This project is distributed under the BSD-3-Clause license. See the LICENSE file for details.