🧬 Molexis

Molecular Intelligence Made Simple

Molexis is a modern web platform for molecular informatics that provides instant access to comprehensive chemical data, interactive 3D visualization, and powerful analysis tools. Built for researchers, scientists, and chemistry professionals who need fast, reliable molecular information.

🛠️ Development

Quick Start

# Clone the repository
git clone <repository-url>
cd molexis

# Start the Flask backend
cd api
python -m pip install -e .
python app.py

# In a new terminal, start the frontend
cd frontend
pnpm install
pnpm dev

Environment Setup

Frontend:

• Node.js 18+ and pnpm
• Environment variables in /frontend/.env.local

Backend:

• Python 3.8+ with pip/poetry
• RDKit library (automatically installed)
• Environment variables in /api/.env

🤝 Contributing

1. Fork the repository
2. Create a feature branch (git checkout -b feature/amazing-feature)
3. Commit your changes (git commit -m 'Add amazing feature')
4. Push to the branch (git push origin feature/amazing-feature)
5. Open a Pull Request

📄 License

This project is licensed under the MIT License - see the LICENSE file for details.

🙏 Acknowledgments

• PubChem for comprehensive chemical database access
• 3DMol.js for molecular visualization capabilities
• RDKit for chemical informatics tools
• Next.js and React for the modern web framework
• Tailwind CSS for utility-first styling

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Built with ❤️ for the scientific community