rdkit-mcp-server

by tandemai-inc · MCP Server · ★ 39

About rdkit-mcp-server

RDKit MCP Server: Agentic Access to RDKit for LLMs RDKit MCP Server is an open-source MCP server that enables language models to interact with RDKit through natural language. The goal is to provide agent-level access to every function in RDKit 2025.3.1 without writing any code. Features Seamless Integration: Exposes RDKit functions via the Model Context Protocol (MCP). Language Model Support: Connect any LLM that supports the MCP protocol. CLI Client: Includes a command-line client powered by OpenAI for quick experimentation.

cheminformaticschemistrydrug-discoveryllmmcpmcp-serverrdkit

Quick Facts

Stars39
Forks6
LanguagePython
CategoryMCP Server
LicenseMIT
Quality Score75.6502376978024/100
Last Updated2026-05-04
Created2025-04-30
Platformsmcp, python
Est. Tokens~9k

Compatible Skills

These tools work well together with rdkit-mcp-server for enhanced workflows:

  • SciAgent-Skills — semantic(0.28)+complementary+rare_topics+same_lang+similar_pop+shared_platform (69%)
  • idc-claude-skill — semantic(0.33)+complementary+same_lang+similar_pop+shared_platform (57%)
  • llm-srbench — semantic(0.32)+complementary+same_lang+similar_pop+shared_platform (56%)
  • LLM-SR — semantic(0.26)+complementary+same_lang+similar_pop+shared_platform (54%)
  • SkillX — semantic(0.26)+complementary+same_lang+similar_pop+shared_platform (54%)

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Frequently Asked Questions

What is rdkit-mcp-server?

rdkit-mcp-server is MCP server that enables language models to interact with RDKit through natural language. It is categorized as a MCP Server with 39 GitHub stars.

What programming language is rdkit-mcp-server written in?

rdkit-mcp-server is primarily written in Python. It covers topics such as cheminformatics, chemistry, drug-discovery.

How do I install or use rdkit-mcp-server?

You can find installation instructions and usage details in the rdkit-mcp-server GitHub repository at github.com/tandemai-inc/rdkit-mcp-server. The project has 39 stars and 6 forks, indicating an active community.

What license does rdkit-mcp-server use?

rdkit-mcp-server is released under the MIT license, making it free to use and modify according to the license terms.

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