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JackKuo666
PubChem-MCP-Server

JackKuo666/PubChem-MCP-Server

3.3

research_and_data

If you are the rightful owner of PubChem-MCP-Server and would like to certify it and/or have it hosted online, please leave a comment on the right or send an email to henry@mcphub.com.

The PubChem MCP Server provides a bridge between AI assistants and PubChem's chemical database through the Model Context Protocol (MCP).

Tools

Functions exposed to the LLM to take actions

search_pubchem_by_name

Search for chemical compounds on PubChem using a compound name.

search_pubchem_by_smiles

Search for chemical compounds on PubChem using a SMILES string.

get_pubchem_compound_by_cid

Fetch detailed information about a chemical compound using its PubChem CID.

search_pubchem_advanced

Perform an advanced search for compounds on PubChem.

Prompts

Interactive templates invoked by user choice

No prompts

Resources

Contextual data attached and managed by the client

No resources

Author

JackKuo666

Claim Ownership

Verify you have write access to the repository

Repository

https://github.com/JackKuo666/PubChem-MCP-Server

GitHub Stars

3

Last publish date

2025-04-07

Last update date

2025-06-13

Server configs

in claude desktop

{
  "mcpServers": {
    "pubchem": {
      "command": "python",
      "args": ["-m", "pubchem-mcp-server"]
    }
  }
}

in claude desktop on windows

{
  "mcpServers": {
    "pubchem": {
      "command": "C:\\Users\\YOUR_USERNAME\\AppData\\Local\\Programs\\Python\\Python311\\python.exe",
      "args": [
        "-m",
        "pubchem-mcp-server"
      ]
    }
  }
}

in cline

{
  "mcpServers": {
    "pubchem": {
      "command": "bash",
      "args": [
        "-c",
        "source /home/YOUR/PATH/mcp-hub/PubChem-MCP-Server/.venv/bin/activate && python /home/YOUR/PATH/mcp-hub/PubChem-MCP-Server/pubchem_server.py"
      ],
      "env": {},
      "disabled": false,
      "autoApprove": []
    }
  }
}

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