Molecule MCP Server

MCPOfficialOpen SourceMIT52.0

by ChatMol • Modeling & Simulation

An MCP server that connects molecular-science tools (PyMOL, ChimeraX, GROMACS copilot) to Claude Desktop so Claude can directly control those tools and assist with prompt-driven molecule modeling.

Example Use Cases

1
Visualize, manipulate, and annotate molecular structures interactively via PyMOL or ChimeraX from within Claude Desktop.
2
Run or orchestrate molecular simulations and analysis workflows by invoking a GROMACS copilot through MCP.
3
Automate prompt-driven molecule modeling tasks, enabling Claude to act as a co-scientist that controls external tools and pipelines.

Description

Molecule-MCP exposes molecular visualization and simulation tools to Claude AI via the Model Context Protocol (MCP), enabling the model to act as an interactive co-scientist. It provides ready-to-run server scripts for PyMOL, ChimeraX, and a GROMACS copilot integration, allowing Claude to execute commands, manipulate structures, and orchestrate workflows. Installation requires Claude Desktop and standard Python tooling (pip, mcp CLI), making it straightforward to integrate into local research setups.

Quick Actions

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Security

Scanned 3 month(s) ago

Risk Level

MINIMAL

Read-only data retrieval, no side effects

Trust Score

D44/100

4/17 checks passed

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Quick Stats

Service TypeMCP

Pricing ModelFree

Capabilities0 Tools / 0 Prompts / 0 Resources

OwnerChatMol

CategoryModeling & Simulation

DependenciesStandalone