rdkit-mcp-server

rdkit-mcp-server

3.4

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RDKit MCP Server is an open-source server that allows language models to interact with RDKit using natural language, providing agent-level access to RDKit functions.

The RDKit MCP Server is designed to bridge the gap between language models and the RDKit library, enabling seamless interaction through natural language. By leveraging the Model Context Protocol (MCP), this server allows any MCP-compliant language model to access RDKit's comprehensive suite of cheminformatics tools without the need for traditional coding. This innovation aims to democratize access to RDKit's functionalities, making it easier for researchers, developers, and enthusiasts to utilize its capabilities in a more intuitive manner. The server is equipped with a command-line interface client, powered by OpenAI, to facilitate rapid experimentation and prototyping. With the RDKit MCP Server, users can expect a more streamlined workflow, enhancing productivity and creativity in cheminformatics applications.

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.