online demo: molecule-rs.vercel.app

to use the demo, search any molecule in the search bar and click on it. This will load and render the molecule.

molecule-rs

molecule-rs is a high-performance molecular visualization and analysis toolkit built with Rust. It's designed to parse, process, and visualize molecular structures.

Prerequisites

• Rust and Cargo
• wasm-pack (for WebAssembly compilation)
• Node.js and npm (for the web demonstration)

Building the Core Library

cargo build --release

Building the WebAssembly Module

cd molecule-wasm
wasm-pack build

Running the Web Demonstration

cd molecule-web
npm install
npm start

Then open your browser to http://localhost:8080.

Contributing

Contributions are very welcome. Please feel free to submit a PR.

License

MIT