rdkit-tools-mcp
Search & Web
Remote
Provides in-process RDKit cheminformatics operations — descriptors, fingerprints, similarity and substructure search, reaction enumeration, standardization, and 3D conformer generation — for AI agents.
How to connect
1
Glama registry
View https://glama.ai/mcp/servers/xk2eaxw6qz for deploy options, or install from https://github.com/mtx-auto/rdkit-tools-mcp (see README for MCP config).
2
GitHub
Install from https://github.com/mtx-auto/rdkit-tools-mcp and add the server to your MCP client configuration (see repository README).
Tools
Tool names are not listed in our registry for this server. Connect it in your MCP client to see the live tool list.