Molecule-MCP
用于分子的AI驱动服务器

描述

Molecule-MCP 通过模型上下文协议 (MCP) 将分子科学相关工具连接到 Claude AI,从而实现交互式分子建模。

详情

类型

AI Integration

Molecule-MCP

Molecule-MCP: A model-context-protocol server for molecules. Molecule-MCP connects molecule science releated tools to Claude AI through the Model Context Protocol (MCP), allowing Claude to directly interact with and control these tools and act as a co-scientist. This integration enables prompt assisted molecule modeling.

图片已屏蔽 (相对路径)

Installation

⚠️ Note: Molecule-MCP requires Claude Desktop to be installed and running.

  1. Go to Claude > Settings > Developer > Edit Config > claude_desktop_config.json to include the following:

{ "mcpServers": { "pymol": { "command": "/path/to/mcp", "args": [ "run", "/path/to/molecule-mcp/pymol_server.py" ] }, "chimerax": { "command": "/path/to/mcp", "args": [ "run", "/path/to/molecule-mcp/chimerax_server.py" ] } } }
  1. Install mcp and get the script

pip install mcp chatmol which mcp

the path to mcp will be displayed. Copy this path for the next step and replace /path/to/mcp with the path to mcp.

git clone https://github.com/ChatMol/molecule-mcp.git
cd molecule-mcp
pwd

the path to molecule-mcp will be displayed. Copy this path for the next step and replace /path/to/molecule-mcp with the path to molecule-mcp.

Disclaimer

Molecule-MCP is provided "as is" without warranty of any kind, express or implied. The authors and contributors disclaim all warranties including, but not limited to, the implied warranties of merchantability and fitness for a particular purpose. Users employ this software at their own risk.

The authors bear no responsibility for any consequences arising from the use, misuse, or misinterpretation of this software or its outputs. Results obtained through Molecule-MCP should be independently validated prior to use in research, publications, or decision-making processes.

This software is intended for research and educational purposes only. Users are solely responsible for ensuring compliance with applicable laws, regulations, and ethical standards in their jurisdiction.