🧪 KetchKit

KetchKit is a lightweight molecular sketching and property analysis tool built with Ketcher and RDKit.js. It allows users to draw molecules, extract SMILES and MOL formats, and compute Crippen properties (ClogP and MR) in the browser.

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🚀 Live Demo

Try it here →

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🛠️ Features

• Draw and edit chemical structures interactively
• Export SMILES and MOL file formats
• Calculate Crippen ClogP and MR values using RDKit.js
• Download results as .mol and .json files
• Built with a fast, modern frontend using React and Vite

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🔧 Tech Stack

• Ketcher v3.2.0 – Molecular sketcher by EPAM Life Sciences
• RDKit.js v2025.3.2-1.0.0 – WebAssembly port of RDKit for cheminformatics
• React (via Vite) – Fast and modern frontend framework
• Hosted on GitHub Pages

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📦 Installation

git clone https://github.com/jfell13/ketchkit
cd ketchkit
npm install
npm run dev

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Support

If you find this project helpful, consider buying me a coffee!