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PubChem MCP Server

Enables large language models to correctly query molecular databases and generate structure files

Created by PhelanShao2025/03/27
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What is PubChem MCP Server?

what is PubChem MCP Server? PubChem MCP Server is a Model Context Protocol (MCP) server designed to acquire and manage data from the PubChem molecular database, allowing users to query chemical compounds efficiently. how to use PubChem MCP Server? To use the PubChem MCP Server, install it via npm and configure it in your MCP configuration file. You can then use the provided tools to query compound data by name or CID. key features of PubChem MCP Server? Support for querying by compound name or CID Multiple output formats: JSON, CSV, XYZ 3D structure data acquisition and conversion Local caching system to minimize API calls Automatic retry mechanism for improved reliability use cases of PubChem MCP Server? Retrieving structural and property data for chemical compounds. Converting chemical data into various formats for analysis. Accessing 3D structure data for visualization in chemical software. FAQ from PubChem MCP Server? What types of data can I retrieve? You can retrieve structural and property data for various chemical compounds in different formats. Is there a limit to the number of queries? The server supports multiple queries, but be mindful of API rate limits. How do I cache data? The server automatically caches attribute data in memory and 3D structure data in a specified directory.

As an MCP (Model Context Protocol) server, PubChem MCP Server enables AI agents to communicate effectively through standardized interfaces. The Model Context Protocol simplifies integration between different AI models and agent systems.

How to use PubChem MCP Server

To use the PubChem MCP Server, install it via npm and configure it in your MCP configuration file. You can then use the provided tools to query compound data by name or CID. key features of PubChem MCP Server? Support for querying by compound name or CID Multiple output formats: JSON, CSV, XYZ 3D structure data acquisition and conversion Local caching system to minimize API calls Automatic retry mechanism for improved reliability use cases of PubChem MCP Server? Retrieving structural and property data for chemical compounds. Converting chemical data into various formats for analysis. Accessing 3D structure data for visualization in chemical software. FAQ from PubChem MCP Server? What types of data can I retrieve? You can retrieve structural and property data for various chemical compounds in different formats. Is there a limit to the number of queries? The server supports multiple queries, but be mindful of API rate limits. How do I cache data? The server automatically caches attribute data in memory and 3D structure data in a specified directory.

Learn how to integrate this MCP server with your AI agents and leverage the Model Context Protocol for enhanced capabilities.

Use Cases for this MCP Server

  • No use cases specified.

MCP servers like PubChem MCP Server can be used with various AI models including Claude and other language models to extend their capabilities through the Model Context Protocol.

About Model Context Protocol (MCP)

The Model Context Protocol (MCP) is a standardized way for AI agents to communicate with various services and tools. MCP servers like PubChem MCP Server provide specific capabilities that can be accessed through a consistent interface, making it easier to build powerful AI applications with complex workflows.

Browse the MCP Directory to discover more servers and clients that can enhance your AI agents' capabilities.