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@aiidateam

AiiDA team

The development team of AiiDA
README.md

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 593 270

  2. aiida-quantumespresso aiida-quantumespresso Public

    The official AiiDA plugin for Quantum ESPRESSO

    Python 92 102

  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 32 16

Repositories

Showing 10 of 82 repositories
  • aiida-explorer Public

    A React component to explore AiiDA provenance

    aiidateam/aiida-explorer's past year of commit activity
    JavaScript 9 4 8 0 Updated Oct 6, 2026
  • aiida-core Public

    The official repository for the AiiDA code

    aiidateam/aiida-core's past year of commit activity
    Python 593 270 602 (1 issue needs help) 112 Updated Oct 6, 2026
  • aiida-registry Public

    Find plugins for AiiDA

    aiidateam/aiida-registry's past year of commit activity
    HTML 21 77 10 6 Updated Oct 6, 2026
  • aiida-upgrade Public

    A tool to aide upgrades of plugins to new aiida-core version

    aiidateam/aiida-upgrade's past year of commit activity
    Python 1 MIT 1 0 1 Updated Oct 6, 2026
  • disk-objectstore Public

    An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server

    aiidateam/disk-objectstore's past year of commit activity
    Python 16 MIT 15 14 6 Updated Oct 6, 2026
  • aiida-sssp-workflow Public

    sssp verification workflows

    aiidateam/aiida-sssp-workflow's past year of commit activity
    Python 7 MIT 3 5 3 Updated Oct 6, 2026
  • aiida-hyperqueue Public

    AiiDA plugin for the HyperQueue metascheduler.

    aiidateam/aiida-hyperqueue's past year of commit activity
    Python 8 MIT 13 10 2 Updated Oct 6, 2026
  • aiida-cp2k Public

    The CP2K plugin for the AiiDA workflow and provenance engine.

    aiidateam/aiida-cp2k's past year of commit activity
    Python 26 MIT 29 13 8 Updated Oct 6, 2026
  • aiida-firecrest Public

    AiiDA Transport/Scheduler plugins for interfacing with FirecREST (https://products.cscs.ch/firecrest/)

    aiidateam/aiida-firecrest's past year of commit activity
    Python 3 MIT 5 3 4 Updated Oct 6, 2026
  • keyringrs Public

    python binding for keyring-rs (Cross-platform library and utility to manage passwords)

    aiidateam/keyringrs's past year of commit activity
    Python 1 Apache-2.0 1 1 2 Updated Oct 5, 2026
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