Nwchem MCP

io.github.mrfentmen/nwchem-mcp

NWChem MCP: parse inputs, validate blocks, geometry and task lines.

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Connect this server

Add this to your MCP client config — claude_desktop_config.json (Claude Desktop) or .cursor/mcp.json (Cursor).Suits: Claude Desktop · Cursor.

{
  "mcpServers": {
    "nwchem-mcp": {
      "command": "npx",
      "args": [
        "-y",
        "@mrfentmen/nwchem-mcp@1.0.1"
      ]
    }
  }
}

A starting point — check the repository for exact arguments and setup. Restart your client after editing the config.

Category
Other
Version
1.0.1
Registry
active
Published
11/13/2026

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