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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

Start the server using Python:

python main.py

The server will be live at http://localhost:8080.

๐Ÿงช Testing the Server

The official way to test MCP tools interactively.

  1. Start your server in one terminal:

    python main.py
  2. In a second terminal, run the inspector pointing to the SSE URL:

    npx @modelcontextprotocol/inspector http://localhost:8080/sse

Method 2: Manual HTTP Check

Since the server runs on HTTP/SSE, you can verify it's up with a simple curl:

curl http://localhost:8080/health

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 SSE endpoint: URL: http://localhost:8080/sse

-
security - not tested
A
license - permissive license
-
quality - not tested

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