Materials MCP

# Materials MCP Project Progress Summary ## Current Status (as of Initial Implementation) ### Completed Items 1. **Project Setup** - Initialized Git repository - Set up Python virtual environment - Configured Poetry for dependency management - Created basic project structure - Established GitHub repository at https://github.com/ZuchGuillotine/MatMCP 2. **Dependencies** - Added core dependencies: - `optimade>=1.2.4` for OPTIMADE API support - `requests>=2.31.0` for HTTP requests - `fastapi>=0.110.0` for API server - `uvicorn>=0.27.1` for ASGI server - `pydantic>=2.6.3` for data validation 3. **API Exploration** - Created `explore_gnome_api.py` to test GNoME OPTIMADE API - Implemented queries for: - Basic element searches - Energy-based filters - Band gap queries - Structure details retrieval - Documented API capabilities and response formats 4. **MCP Server Implementation** - Implemented basic FastAPI server - Created `/mcp` endpoint for MCP protocol - Implemented `initialize` method with proper JSON-RPC 2.0 support - Added request/response validation using Pydantic - Set up basic error handling - Added API documentation endpoints (`/docs` and `/redoc`) ### In Progress 1. **MCP Protocol Implementation** - Basic initialization endpoint working - Need to implement additional MCP methods: - `query` for structure searches - `getStructure` for detailed structure retrieval - Other protocol-specific methods 2. **Documentation** - Basic README created - API documentation via FastAPI's Swagger UI - Need to expand with: - Detailed API usage examples - Protocol specification documentation - Development guidelines ### Next Steps 1. **Short Term** - Implement remaining MCP protocol methods - Add comprehensive error handling - Add logging for debugging - Create test suite - Expand API documentation 2. **Medium Term** - Add caching layer for frequently accessed data - Implement rate limiting - Add authentication if required - Set up CI/CD pipeline - Add performance monitoring 3. **Long Term** - Support for additional materials databases - Advanced query capabilities - Performance optimizations - Client libraries for common languages - Community guidelines and contribution process ## Technical Debt 1. Need to implement proper logging 2. Need to add comprehensive testing 3. Need to document API rate limits and usage guidelines 4. Need to implement proper error handling for all edge cases 5. Need to add input validation for all query parameters ## Questions to Address 1. Should we implement authentication for the MCP server? 2. What additional materials databases should we support? 3. How should we handle rate limiting and caching? 4. What metrics should we track for monitoring? 5. How should we version the API and protocol? ## Resources - [GNoME OPTIMADE API](https://optimade-gnome.odbx.science/v1) - [FastAPI Documentation](https://fastapi.tiangolo.com/) - [OPTIMADE Specification](https://github.com/Materials-Consortia/OPTIMADE) - [JSON-RPC 2.0 Specification](https://www.jsonrpc.org/specification)