Molecular MCP

GPU-accelerated MCP server for molecular dynamics, N-body simulations, and particle systems

VERIFIED ACTIVE

LAST COMMIT 2026-05-01 · ★ 2 · #603 OF 848 MAINTAINED OTHER · VERIFIED 2026-08-25

MIT · Python servers · how we verify → /methodology

01 · Install Molecular MCP

Claude Code

claude mcp add andylbrummer-math-mcp-servers-molecular- -- uvx scicomp-molecular-mcp

Claude Desktop / Cursor / VS Code - add to config

{
  "mcpServers": {
    "andylbrummer-math-mcp-servers-molecular-": {
      "command": "uvx",
      "args": [
        "scicomp-molecular-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 scicomp-molecular-mcp - check the name against the project README before installing (PyPI has no namespace ownership)

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

03 · What Molecular MCP can do

Latest releases

v0.1.6 · 2026-01-05

Math-Physics-ML MCP v0.1.6 · GPU-accelerated MCP servers for computational mathematics, physics simulations, and machine learning. · Installation · bash · Run directly with uvx (no installation required) · uvx…

v0.1.5 · 2026-01-03

Math-Physics-ML MCP v0.1.5 · GPU-accelerated MCP servers for computational mathematics, physics simulations, and machine learning. · Installation · bash · Run directly with uvx (no installation required) · uvx…

v0.1.3 · 2025-12-31

Math-Physics-ML MCP v0.1.3 · GPU-accelerated MCP servers for computational mathematics, physics simulations, and machine learning. · Installation · bash · Run directly with uvx (no installation required) · uvx…

04 · Who maintains Molecular MCP

molecular-mcp is maintained by andylbrummer. We track 4 MCP servers from andylbrummer - 4 actively maintained, 2 combined GitHub stars, oldest repo from Dec 2025.

math-mcp GPU-accelerated MCP server: symbolic algebra, numerical computing, FFT, optimization, linear algebra ★ 2

05 · Facts

repository: github.com/andylbrummer/math-mcp
website: https://andylbrummer.github.io/math-mcp/api/molecular-mcp
category: other - ranked #603 of 848 actively-maintained other servers as of 2026-08-25.
registry: io.github.andylbrummer/molecular-mcp (active, first published 2026-01-03 · 3 versions)
packages: pypi:scicomp-molecular-mcp

06 · Molecular MCP FAQ

Is Molecular MCP still maintained?

Yes - as of 2026-08-25, its last commit was 2026-05-01. We re-verify nightly.

How do I install Molecular MCP?

Run `uvx scicomp-molecular-mcp`. You can also paste the ready-made client config above.

Does Molecular 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 Molecular MCP

Alternatives to Molecular MCP

Maintained other servers if Molecular MCP isn't the fit.

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