rdkit-tools-mcp

Name: rdkit-tools-mcp
Author: mtx-auto

Provides in-process RDKit cheminformatics operations — descriptors, fingerprints, similarity and substructure search, r…

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Open / InstallLast updated August 22, 2026

Description

Provides in-process RDKit cheminformatics operations — descriptors, fingerprints, similarity and substructure search, reaction enumeration, standardization, and 3D conformer generation — for AI agents.

Author

mtx-auto

Platform

mcp

Pricing model

free

Capabilities

MCP server