molecule_mcp

molecule_mcp

2

Molecule Visualizer is an MCP server that helps visualize molecules and retrieve molecular properties using SMILES codes. It integrates with LLM applications like Claude Desktop, providing chemistry-focused capabilities such as visualizing molecular structures and analyzing chemical properties.

Overview

The Molecule Visualizer MCP server provides LLM applications with the ability to:

  • Generate 2D visualizations of molecules from SMILES strings
  • Calculate and display molecular properties
  • Access a database of common molecules by name

Features

Molecule Visualization

  • Generate 2D visualizations of molecules from SMILES strings or common names
  • Customizable image dimensions
  • Option to show atom indices

Molecular Properties

  • Basic properties
  • Lipinski's Rule of Five properties

Installation

  • Requires Python 3.10 or higher, RDKit, MCP Python SDK, PIL
  • Instructions for cloning repository and setting up environment

Usage

  • Run server with Python
  • Integration options with Claude Desktop and test client

API Reference

visualize_molecule

Generate a 2D visualization of a molecule.

get_molecule_properties

Get properties of a molecule.