MOF Tools MCP Server
A specialized MCP server for Metal-Organic Framework research that provides tools for database searching, structural optimization, and energy calculations via ASE. It enables scientific workflows by allowing users to interact with MOF data and perform chemical simulations through a standard SSE interface.
README
MOF Tools MCP Server
A professional, lightweight MCP server for Metal-Organic Framework (MOF) research. This server uses the SSE (Server-Sent Events) transport to provide scientific tools over HTTP.
📁 Repository Structure
main.py: Server entrypoint and tool registration.tools.py: Core logic for scientific calculations and database queries.pyproject.toml: Dependency and package management.
🚀 Installation
# Install dependencies
pip install mcp[server] ase
🏃 Running the Server
To run as the modern HTTP server (Streamable HTTP):
python main.py
🧪 Testing the Server
Method 1: MCP Inspector
# Connect inspector to your running HTTP server
npx @modelcontextprotocol/inspector http://localhost:8080/mcp
Method 2: Manual HTTP Check
Since the server runs on HTTP, you can verify it's up with a simple curl:
curl http://localhost:8080/mcp
🛠️ Available Tools
| Tool | Description | Input |
|---|---|---|
search_mofs |
Search internal MOF database | query (name or formula) |
calculate_energy |
Calculate potential energy via ASE | data (CIF content or path) |
optimize_structure |
Structure optimization placeholder | name (MOF name) |
🔌 Integration
To connect your agent to this server, use the Streamable HTTP endpoint:
URL: http://localhost:8080/mcp
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