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MCP.science

A shelf of MCP servers for scientific work — Materials Project data, sandboxed Python, DFT through GPAW, a live Jupyter kernel, Mathematica, web and academic search — each started with one `uvx mcp-science <server-name>` command.

by pathintegral-institute ↗Physical Sciences & Scientific ComputingCommunity

LABSCO SUMMARY

A shelf of research servers, one command each.

The value is the shelf rather than any single server: retrieval, computation and remote execution all speak the same protocol and start the same way, so a research assistant can hold several at once without a different install story for each. Read the server's own README before you wire it in — SSH Exec and Python Code Execution both run code, and the limits on each are written in its directory, not in the shared one.

What it is

A monorepo of open-source MCP servers built for scientific research, published as one PyPI package (mcp.science, version 0.1.7). Each server lives in its own directory under servers/ with its own README, and any of them starts with uvx mcp-science <server-name> — that single command handles installation and execution, so a client entry is just uvx plus two arguments. MIT licensed.

What you get

  • Materials Project — search, visualise and manipulate materials-science data from the Materials Project database; needs a Materials Project API key
  • Python Code Execution — runs Python snippets in a sandboxed environment with restricted standard-library access, so analysis the assistant writes runs somewhere it cannot reach your system
  • GPAW Computation — density-functional-theory calculations through the GPAW package
  • Jupyter-Act — executes notebook cells against a running Jupyter kernel
  • Mathematica-Check — evaluates small Wolfram Language snippets through a headless Mathematica instance
  • Web Fetch — fetches and processes HTML, PDF and plain-text content from the web so the assistant can quote or summarise it
  • TXYZ Search — web, academic and "best effort" searches through the TXYZ API; needs a TXYZ API key
  • SSH Exec — runs pre-validated commands on remote machines over SSH, with configurable authentication and command whitelists
  • NEMAD — tools for inspecting NEMAD data sets
  • TinyDB — CRUD access to a lightweight JSON database, for small structured things the assistant needs to keep
  • Timer — a countdown timer that streams progress updates, demonstrating MCP notifications
  • Example Server — the minimal pieces a server implementation needs, as a starting point for your own

Requirements

uv and an MCP-enabled client — Claude Desktop, VSCode, Goose and 5ire are the ones named. uvx mcp-science <server-name> downloads the package from PyPI and runs the requested entry point, so there is nothing to install per server. Two of them need keys you bring yourself: Materials Project and TXYZ Search. The rest of what a server needs depends on which one you start — SSH Exec wants credentials and a command whitelist for the machines it will touch, Mathematica-Check wants a headless Mathematica, GPAW Computation wants GPAW. Each server's own README under servers/ is where those specifics live, and mcpm will wire servers into supported clients for you if you switch clients often.

Setup effort

One command — uvx mcp-science web-fetch