Chemmcp

Created at 21 days ago

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research-and-data

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chemmcp

chemistry-toolkit

ai-assistant

What is ChemMCP?

ChemMCP is a chemistry toolkit that empowers AI assistants with advanced chemistry capabilities.

How to use ChemMCP?

To use ChemMCP, follow the quick setup guide to install the necessary dependencies and configure your environment. You can run it as a Model Context Protocol (MCP) server or use it directly in your Python code.

Key features of ChemMCP?

  • Supports two usage modes: MCP server and Python calling mode.
  • Provides various tools for general information retrieval, molecule analysis, and reaction prediction.
  • Easy integration with LLM APIs and other tools.

Use cases of ChemMCP?

  1. Integrating with AI assistants for chemistry-related queries.
  2. Performing chemical reaction predictions and analyses.
  3. Utilizing various tools for chemical compound analysis.

FAQ from ChemMCP?

  • What is required to run ChemMCP?

You need to set up several API keys for full functionality, including CHEMSPACE_API_KEY and RXN4CHEM_API_KEY.

  • Can I use ChemMCP without Docker?

Yes, but some tools may require Docker for full functionality.

  • Is there a guide for setting up ChemMCP?

Yes, a detailed guide is available on the ChemMCP website.

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