Molecule Visualizer MCP Server

Name: Molecule Visualizer MCP Server
Author: leelasd

@leelasd

代码仓库

关于 Molecule Visualizer MCP Server

MCP server for visualizing molecules in Claude Desktop :)

#molecule-visualizer #chemistry #molecular-properties

基本信息

分类

其他

许可证

Apache-2.0

运行时

jupyter notebook

传输方式

stdio

发布者

leelasd

配置

使用下面的配置,将此服务器添加到你的 MCP 客户端。

{
  "mcpServers": {
    "molecule_mcp": {
      "command": "uv",
      "args": [
        "venv"
      ]
    }
  }
}

工具

未检测到工具

工具是从 README 中自动提取的。维护者可以在 ## Tools 标题下列出工具,即可填充这部分内容。

概览

What is Molecule Visualizer MCP Server?

A Model Context Protocol server that provides tools for visualizing molecules and retrieving molecular properties using SMILES codes. It integrates with LLM applications like Claude Desktop for chemistry‑focused capabilities such as exploring structures, analyzing properties, and generating visualizations.

How to use Molecule Visualizer MCP Server?

Install Python 3.10+, RDKit, the MCP Python SDK, and Pillow. Run the setup script or use uv to install dependencies, then configure Claude Desktop by adding the server to claude_desktop_config.json. You can also run the server directly with python molecule_server.py.

Key features of Molecule Visualizer MCP Server

Generate 2D visualizations from SMILES strings or common names.
Return MCP Image objects for direct LLM integration.
Markdown‑compatible output with base64‑encoded images.
Customizable image dimensions and optional atom indices.
Calculate molecular properties including Lipinski’s Rule of Five.
Access a built‑in database of common molecules by name.

Use cases of Molecule Visualizer MCP Server

Exploring molecular structures and analyzing chemical properties.
Generating molecule visualizations for educational content or research assistance.
Integrating reliable chemistry capabilities into LLM‑based applications.