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MOF Tools MCP Server

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MCP server for MOFMaster

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.

๐Ÿ“ 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.

๐Ÿš€ Installation

# Install dependencies
pip install mcp[server] ase

๐Ÿƒ Running the Server

To run as the modern HTTP server (Streamable HTTP):

python main.py

๐Ÿงช 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

๐Ÿ› ๏ธ 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)

๐Ÿ”Œ Integration

To connect your agent to this server, use the Streamable HTTP endpoint:URL: http://localhost:8080/mcp

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