Labmate MCP

Your AI lab companion - from literature search to benchwork to publication. 81 tools · 25+ scientific APIs · 202 named reactions · zero config required. Its 40 documented tools cover predict, compound, paper, papers. It runs locally over stdio via the published package.

People who work with predict, compound and paper and want it reachable from Claude, Cursor, VS Code, or another MCP client. The project is written in Python.

VERIFIED ACTIVE

LAST COMMIT 2026-02-03 · ★ 2 · #62 OF 71 MAINTAINED SCIENCE & HEALTH · VERIFIED 2026-09-18

MIT · Python servers · how we verify → /methodology

01 · Install Labmate MCP

before you install - you'll need

Set RXN_API_KEY, ROWAN_API_KEY, UNPAYWALL_EMAIL before connecting.

Claude Code

claude mcp add jonasrackl-labmate-mcp -- uvx labmate-mcp

Claude Desktop / Cursor / VS Code - add to config

{
  "mcpServers": {
    "jonasrackl-labmate-mcp": {
      "command": "uvx",
      "args": [
        "labmate-mcp"
      ]
    }
  }
}

Same JSON for Cursor. For VS Code, rename the top-level key from `mcpServers` to `servers`.

Using another client? Same JSON, different key

Claude Desktop · mcpServers

Cursor · mcpServers

VS Code · servers

Windsurf · mcpServers

Zed · context_servers

Cline · mcpServers

Roo Code · mcpServers

Continue · mcpServers

LibreChat · mcpServers

Gemini CLI · mcpServers

Codex CLI · mcp_servers

Full setup guides: every client.

02 · Evidence

Security posture

What to check before giving this server access to your agent - from the registry, GitHub, and our own probes. We don't score safety; we show what's verifiable.

runs as local process (stdio) - runs on your machine with your user's permissions

license MIT - declared in the repository

pypi package labmate-mcp - check the name against the project README before installing (PyPI has no namespace ownership)

registry namespace io.github.JonasRackl is GitHub-verified and matches the repo owner

03 · What Labmate MCP can do

Prose above is summarized from the project's README and registry record - no invented capabilities.

What you can build

An agent gets 40 documented tools spanning predict, compound, paper, papers, including search_papers, get_paper_details, find_similar_papers, get_paper_citations.

Capability map

Tools grouped from the project's README - what Labmate MCP lets an agent do.

read & search

14 tools - e.g. Crossref + OpenAlex + S2; Semantic Scholar; OpenAlex + S2

search_papers · find_similar_papers · get_author_profile · find_open_access_pdf · search_web_of_science · get_journal_metrics…

Predict

7 tools - e.g. IBM RXN; IBM RXN; IBM RXN

predict_retrosynthesis · predict_product · predict_atom_mapping · predict_pka · predict_solubility · predict_admet…

Compound

4 tools - e.g. PubChem; PubChem; Multiple

search_compound · get_compound_properties · profile_compound · translate_compound_ids

Paper

3 tools - e.g. Crossref + OpenAlex + S2; Semantic Scholar; Semantic Scholar

get_paper_details · get_paper_citations · get_paper_references

Chemrxiv

2 tools - e.g. Crossref + OpenAlex; -

search_chemrxiv · get_chemrxiv_categories

Protein

2 tools - e.g. RCSB PDB; RCSB PDB

search_protein_structures · get_protein_structure

Peptide

2 tools - e.g. p2smi; p2smi

peptide_to_smiles · peptide_cyclization_options

Analyze

1 tool - e.g. OpenAlex

analyze_research_topic

04 · Who maintains Labmate MCP

labmate-mcp is maintained by jonasrackl. It's the only MCP server we track from this author; the repo dates to Feb 2026.

05 · Facts

repository: github.com/jonasrackl/labmate-mcp
category: science & health - ranked #62 of 71 actively-maintained science & health servers as of 2026-09-18.
registry: io.github.JonasRackl/labmate-mcp (active, first published 2026-02-02)
packages: pypi:labmate-mcp

06 · Labmate MCP FAQ

Is Labmate MCP still maintained?

Yes - as of 2026-09-18, its last commit was 2026-02-03. We re-verify nightly.

What can Labmate MCP do?

An agent gets 40 documented tools spanning predict, compound, paper, papers, including search_papers, get_paper_details, find_similar_papers, get_paper_citations.

How do I install Labmate MCP?

Run `uvx labmate-mcp`. The README documents 3 environment variables (RXN_API_KEY, ROWAN_API_KEY, UNPAYWALL_EMAIL) to set first. Set RXN_API_KEY, ROWAN_API_KEY, UNPAYWALL_EMAIL before connecting. You can also paste the ready-made client config above.

Does Labmate MCP run locally?

Yes - it's a stdio server: it runs on your machine (via uvx) with your user's permissions. Your data stays local unless the server itself calls external APIs.

07 · Alternatives to Labmate MCP

Alternatives to Labmate MCP

Maintained science & health servers if Labmate MCP isn't the fit.

More science & health MCP servers · ChemDraw MCP (unofficial) · Divlens · MaBoSS Boolean Network Simulator

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