Aiida | Agent Skills Atlas

About this skill

AiiDA (Automated Infrastructure and Database for Ab-initio Design) - Python framework for managing and preserving computational workflows and data. Use when managing computational materials science workflows, tracking calculation provenance, automating DFT/MD simulations, or building reproducible research pipelines. Supports plugins for VASP, Quantum ESPRESSO, CP2K, and many other codes.

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Review, license & listing details

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This is an imported listing. We haven’t certified its safety, license, or compatibility. Skills may include executable scripts.

Automated security scan: Partial

Only SKILL.md was scanned. Supporting files and scripts were not checked. No safety grade has been assigned.

0 potential findings · Scanned 11/4/2026 · Scanner 0.2.1

Content SHA-256: 335f5d5f74616d3ada2bdb3e55d96e5904bdc9deea9e7106356dc78ad1d5a009

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Original listing metadata

Original name

aiida

Original description

About this listing

Category: Science & research
Reported license: Not specified
Listing language (estimated): English
Review status: Not individually reviewed
Agent compatibility: Atlas installation supports Claude Code, Codex, and Cursor. Skill-specific dependencies and features are checked during setup.