2D structure ⇄ SMILES/InChIKey

A lightweight, purely client-side web application that allows users to seamlessly convert between 2D chemical structures and molecular identifiers (SMILES and InChIKey).

🚀 Live Demo

[https://petrusen.github.io/getinchi/]

🛠️ How it Works

This repository hosts a single self-contained web page (index.html). Because it runs completely in the browser without requiring a backend server, it can be deployed instantly to GitHub Pages.

It bridges two powerful open-source chemistry libraries via CDN:

• Kekule.js: Provides the interactive 2D molecule editor canvas and UI tools.
• RDKit.js (WebAssembly): Serves as the underlying cheminformatics engine to generate canonical SMILES/InChIKeys from 2D structures, and to generate coordinate tables to render 2D structures back from raw SMILES strings.

🔒 Privacy & Security

Molecular data and input strings provided by users are not transmitted, tracked, or stored on any server. All computations run strictly client-side within your browser's temporary memory.

💻 How to Use Locally

1. Clone or download this repository.
2. Because RDKit.js utilizes WebAssembly, modern browsers block it from running via direct file opening (file://). You must serve it via a local web server.
3. Open your terminal in the project folder and run:

   python -m http.server 8000