materials-project-mcp

# Materials Project MCP A Model Context Protocol (MCP) server that exposes query tools for the Materials Project database using the mp_api client. ## Getting Started 1. **Clone this repository:** 2. **Make sure you have [uv](https://github.com/astral-sh/uv) installed:** ```bash curl -Ls [https://astral.sh/uv/install.sh](https://astral.sh/uv/install.sh) | sh ``` 3. **Create a virtual environment using `uv`:** ```bash uv venv source .venv/bin/activate # or .venv\Scripts\activate on Windows ``` 4. **Install dependencies from `requirements.txt`:** ```bash uv pip install -r requirements.txt ``` --- ## 🛠️ Development Workflow ### Branching * When working on a new feature or task, **create a new branch** named after the tool or feature you're working on. ```bash git checkout -b <tool-name> ``` ### Pushing Changes * After completing your task and committing your changes, **push your branch**: ```bash git push origin <tool-name> ``` ### Pull Requests * Open a **Pull Request (PR)** from your branch to `main`. * Use clear titles and descriptions to explain the changes and context. --- ## ✅ Example Workflow ```bash git checkout -b image-generation # make your changes... git add . git commit -m "Add image generation feature" git push origin image-generation # Then open a pull request ``` ## Usage ### Testing the Server To test the server locally with mcp inspector, you can use the MCP development tool: check mcp docs to know more ```bash mcp dev server.py ``` ### Using with Claude To use this server with Claude: 1. Install the server: ```bash mcp install server.py ``` 2. Edit the generated config file with the following configuration (replace the path with your actual path): ```json { "mcpServers": { "Materials Project": { "command": "/usr/local/bin/uv", "args": [ "run", "--with", "mcp[cli],aiohttp,pydantic,mp_api,pymatgen,emmet-core", "/path/to/your/materials-project-mcp/server/server.py" ], "env": { "MP_API_KEY": "YOUR_API_KEY" } } } } ``` Note: Make sure to replace `YOUR_API_KEY` with your actual Materials Project API key. ## Features - Search for materials by elements, band gap range, and stability - Retrieve crystal structures by Materials Project ID - Integration with Claude AI assistant ## Requirements - Python 3.12+ - Materials Project API key - Required packages: mcp, aiohttp, pydantic, mp_api ### Citations 1. Yin, Xiangyu. 2025. “Building an MCP Server for the Materials Project.” March 23, 2025. https://xiangyu-yin.com/content/post_mp_mcp.html.