by Arcadia-Science · MCP Server · ★ 55
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Agentic PyMOL https://github.com/user-attachments/assets/43524828-0fcc-44e5-bcd6-c912e7f865b1 Description A lightweight Model Context Protocol (MCP) server that exposes PyMOL as a typed tool surface for general-purpose agents. Use it with Claude Code, Claude Desktop, Codex, or any MCP-compatible client to let your agent control an open PyMOL session, inspect molecular structures, run PyMOL-native analyses, and render what it sees. Agentic PyMOL is not an embedded chatbot and not a molecular workbench. It is a small bridge between a capable agent and the PyMOL session you already use. What you can do Ask your agent to use PyMOL directly: For a brief showcase of abilities, see this 6-minute demonstration of how you can use Agentic PyMOL to conduct meaningful structural analysis with natural language: Design goals Use the PyMOL you already have. Works with your existing PyMOL installation; PyMOL 2.6+ is supported. No insular chatbot. PyMOL is exposed to your general-p
| Stars | 55 |
| Forks | 11 |
| Language | Python |
| Category | MCP Server |
| License | MIT |
| Quality Score | 71.674576202101/100 |
| Open Issues | 1 |
| Last Updated | 2026-06-11 |
| Created | 2026-05-20 |
| Platforms | claude-code, cli, codex, mcp, python |
| Est. Tokens | ~184k |
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agentic-pymol is A Model Context Protocol (MCP) server that exposes PyMOL as a typed tool surface to your agent (Claude Code/Desktop, Codex, or any MCP-compatible client). It is categorized as a MCP Server with 55 GitHub stars.
agentic-pymol is primarily written in Python.
You can find installation instructions and usage details in the agentic-pymol GitHub repository at github.com/Arcadia-Science/agentic-pymol. The project has 55 stars and 11 forks, indicating an active community.
agentic-pymol is released under the MIT license, making it free to use and modify according to the license terms.