Molecule Visualizer MCP

Example Use Cases

• 1

  Generate 2D PNG images of molecules from SMILES strings or common names for display inline in chat or UI integrations.

• 2

  Compute and report molecular properties and Lipinski rule metrics (molecular formula, weight, atom/bond/ring counts, H-bond donors/acceptors, rotatable bonds, LogP).

• 3

  A local/common-molecules database and SMILES resources to avoid unreliable web lookups when producing chemical visualizations or analyses.

Description

This MCP server uses RDKit to create 2D images of molecules from SMILES strings or common names and returns MCP Image objects (or markdown-friendly base64 images). It also computes basic molecular properties (formula, weight, atom/bond/ring counts) and Lipinski rule metrics (H-bond donors/acceptors, rotatable bonds, LogP). The server is intended for integration with LLM agents (examples use Claude Desktop) to provide reliable, local chemistry visualization and property lookup functionality.