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@aiidateam

AiiDA team

The development team of AiiDA

AiiDA

Automated Interactive Infrastructure and Database

AiiDA is an open-source Python infrastructure for managing and tracking complex computational workflows — built for reproducibility, scale, and the long tail of "what did I run six months ago?"

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  1. aiida-core aiida-core Public

    The official repository for the AiiDA code

    Python 561 258

  2. aiida-quantumespresso aiida-quantumespresso Public

    The official AiiDA plugin for Quantum ESPRESSO

    Python 78 99

  3. aiida-workgraph aiida-workgraph Public

    Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.

    Python 27 15

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