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ChEMBL MCP Server

@JackKuo666

代码仓库

基本信息

分类

其他

传输方式

stdio

作者

JackKuo666

关于 ChEMBL MCP Server

🔍 Enable AI assistants to search, access, and analyze ChEMBL through a simple MCP interface.

ChEMBL MCP Server 配置

使用下面的配置,将此服务器添加到你的 MCP 客户端。

{
  "mcpServers": {
    "ChEMBL-MCP-Server": {
      "command": "python",
      "args": [
        "chembl_searver.py"
      ]
    }
  }
}

ChEMBL MCP Server 工具

工具列表暂未提供

当前收录暂时没有可展示的工具列表，不代表服务没有工具。请查阅项目文档了解支持的能力。

工具是从 README 中自动提取的。维护者可以在 ## Tools 标题下列出工具,即可填充这部分内容。

概览

What is ChEMBL-MCP-Server?

ChEMBL-MCP-Server is a FastMCP wrapper server based on the chembl_webresource_client package that provides complete API access to the ChEMBL database. It is designed for researchers and developers who need programmatic access to drug discovery data and chemical tools.

How to use ChEMBL-MCP-Server?

Install dependencies with pip install -r requirements.txt, then start the server by running python chembl_searver.py. You can configure the host, port, transport method, and log level using command-line arguments such as --host, --port, --transport, and --log-level.

Key features of ChEMBL-MCP-Server

  • Complete API access to the ChEMBL database
  • Asynchronous API calls using the FastMCP framework
  • Built-in error handling and timeout mechanisms
  • Support for both HTTP and stdio transport methods
  • Full type annotations and docstrings

Use cases of ChEMBL-MCP-Server

  • Query activity, assay, target, molecule, and drug data from ChEMBL
  • Canonicalize SMILES strings or convert SMILES to InChI and SVG images
  • Retrieve structural alerts for chemical compounds
  • Integrate ChEMBL data retrieval into MCP-based workflows
  • Serve as a backend for drug discovery and cheminformatics tools

常见问题

1

What dependencies does ChEMBL-MCP-Server require?

It requires chembl_webresource_client, mcp, fastapi, uvicorn, and asyncio.

2

How do I start the server with the stdio transport?

Run `python chembl_searver.py --transport stdio` to use stdio transport instead of HTTP.

3

What API functions are available?

The server provides data entity APIs (activity, assay, target, molecule, drug) and chemical tool APIs (canonicalize SMILES, SMILES to InChI, SMILES to SVG, structural alerts).

4

Are there example scripts?

Yes, check the `chembl_search.py` file for examples of using the various APIs.

5

What license is ChEMBL-MCP-Server distributed under?

It is licensed under the MIT License.

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