Mole
A containerized microservice application for molecular generation and analysis using RDKit — designed for reproducibility, modularity, and scalability using Docker. Generates molecular variants through random mutations with secure API access.
Features
- 🧬 Advanced molecular generation with random mutations
- 🔄 RESTful API built with FastAPI
- ⚛️ Interactive React frontend
- 🐳 Complete Docker containerization
- 🧪 Comprehensive testing suite
- 🚀 CI/CD pipeline ready
Quick Start
# Clone the repository
git clone https://github.com/coccinella-labs/mole.git
cd mole
# Start with Docker
docker-compose up --build
# Access the application
# Frontend: http://localhost:3000
# API Docs: http://localhost:8000/docs