Labmate MCP Server

by jonasracklio.github.JonasRackl/labmate-mcpv7.3.1

81 chemistry tools — literature, calculations, retrosynthesis

3Pythonstdioofficial registry

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security

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freshness

Stale8mo ago

Install Labmate MCP server

claude mcp add labmate -e RXN_API_KEY='<rxn-api-key>' -e ROWAN_API_KEY='<rowan-api-key>' -- uvx labmate-mcp

{
  "mcpServers": {
    "labmate": {
      "command": "uvx",
      "args": [
        "labmate-mcp"
      ],
      "env": {
        "RXN_API_KEY": "<rxn-api-key>",
        "ROWAN_API_KEY": "<rowan-api-key>"
      }
    }
  }
}

Add to ~/.cursor/mcp.json (global) or .cursor/mcp.json (project).

{
  "mcpServers": {
    "labmate": {
      "command": "uvx",
      "args": [
        "labmate-mcp"
      ],
      "env": {
        "RXN_API_KEY": "<rxn-api-key>",
        "ROWAN_API_KEY": "<rowan-api-key>"
      }
    }
  }
}

Settings → Developer → Edit Config (claude_desktop_config.json), then restart.

{
  "servers": {
    "labmate": {
      "type": "stdio",
      "command": "uvx",
      "args": [
        "labmate-mcp"
      ],
      "env": {
        "RXN_API_KEY": "<rxn-api-key>",
        "ROWAN_API_KEY": "<rowan-api-key>"
      }
    }
  }
}

Add to .vscode/mcp.json in your workspace.

{
  "mcpServers": {
    "labmate": {
      "command": "uvx",
      "args": [
        "labmate-mcp"
      ],
      "env": {
        "RXN_API_KEY": "<rxn-api-key>",
        "ROWAN_API_KEY": "<rowan-api-key>"
      }
    }
  }
}

Add to ~/.codeium/windsurf/mcp_config.json.

Configuration

Variable	Required	Secret	Description
RXN_API_KEY	—	yes	IBM RXN key for retrosynthesis (free)
ROWAN_API_KEY	—	yes	Rowan key for pKa/NMR predictions (free)

Freshness

Stale — last maintenance signal 8mo ago. The newest of the signals below sets the band.

Last commit (default branch)
2026-02-03 · 8mo ago · GitHub
Latest release
no data · GitHub
Package published
no data · npm/PyPI
Registry entry updated
2026-02-02 · 8mo ago · official registry · v7.3.1

FAQ

›How do I install the Labmate MCP server in Claude Code?

Run: claude mcp add labmate -e RXN_API_KEY='<rxn-api-key>' -e ROWAN_API_KEY='<rowan-api-key>' -- uvx labmate-mcp. For Cursor, VS Code, Claude Desktop and Windsurf, use the install tabs above.

›Does Labmate require an API key?

Yes. It expects RXN_API_KEY, ROWAN_API_KEY, of which 2 are secrets.

›Can I use Labmate as a remote (hosted) MCP server?

No hosted endpoint is published; it runs locally over stdio.

›Is Labmate in the official MCP registry?

Yes, as io.github.JonasRackl/labmate-mcp.