It provides the connection needed for an agent to work with an AiiDA profile and its calculations. Without that connection, the agent cannot use those AiiDA tools.

aiida — MCP server by ymzhang0/aiida-mcp

aiida

aiida is an MCP server for Claude Code from ymzhang0/aiida-mcp. Its token cost is not measured, scanned A, original, no licence file.

An MCP server that connects an agent to AiiDA, a system for running and tracking scientific calculations and workflows. It requires six environment variables and starts through a Python command.

In plain words

What is it for?: Use it as the configured service behind tasks that inspect, submit, or manage AiiDA calculations and workflows.
Why use it?: It provides the connection needed for an agent to work with an AiiDA profile and its calculations. Without that connection, the agent cannot use those AiiDA tools.

Written for Claude Code: shipped in a Claude Code plugin. Also seen: listed in a Claude config.

Part of the aiida plugin — 1 skill, 1 MCP server shipped together

Good fit Use it as the configured service behind tasks that inspect, submit, or manage AiiDA calculations and workflows.

Compare 6 mcp servers from other repositories ↓

Install with agentmods

npx agentmods add mcp/ymzhang0/aiida-mcp/aiida

Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Clone the repo

git clone --depth 1 https://github.com/ymzhang0/aiida-mcp

Made for: Claude Code.

Or install aiida, the plugin that ships this one along with the rest of its 1 skill, 1 MCP server.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

README.md

[![agentmods](https://agentmods.dev/badge/mcp/ymzhang0/aiida-mcp/aiida/github.svg)](https://agentmods.dev/mcp/ymzhang0/aiida-mcp/aiida)

Your own site

<a href="https://agentmods.dev/mcp/ymzhang0/aiida-mcp/aiida"><img src="https://agentmods.dev/badge/mcp/ymzhang0/aiida-mcp/aiida/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

Your own site · 80×15

<a href="https://agentmods.dev/mcp/ymzhang0/aiida-mcp/aiida"><img src="https://agentmods.dev/badge/mcp/ymzhang0/aiida-mcp/aiida.svg" alt="Reviewed on agentmods" width="80" height="20"></a>

Per session not measured What this adds to a session before it is invoked.

When invoked not measured Not applicable: nothing here is loaded into a session.

Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.

Origin unknown No closer match found in the catalogue.

Security

Grade A, and why

aiida scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 2d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

plugin/.mcp.json · 18 lines

The source is not reproduced here

No licence file

Read it on GitHub

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

2d ago First seen · 18 lines scan A 24a05190fc94

Subscribe to this mod's changes

aiida is an MCP server published in the GitHub repository ymzhang0/aiida-mcp (1 stars, last pushed 3d ago), with no licence file. Its token cost is not measured: an MCP server costs its tool schemas, not its config file. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-11-13.

Research Scientific

aiida next to 6 mcp servers from other repositories
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