Skip to content

@aiidateam AiiDA team

Change the repository type filter

All

    Repositories list

    76 repositories

    • aiida-workgraph

      Public
      Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
      scienceworkflowdatabaseaiidamaterials-scienceprovenance-trackingnodetree
      Python
      •
      MIT License
      •14•25•60•6•Updated Feb 15, 2026Feb 15, 2026

    • aiida-registry

      Public
      Find plugins for AiiDA
      Python
      •
      Other
      •71•19•7•7•Updated Feb 14, 2026Feb 14, 2026

    • aiida-core

      Public
      The official repository for the AiiDA code
      sshworkflowdatabaseworkflow-engineschedulerprovenanceaiidacomputational-scienceworkflowsdata-provenance
      Python
      •
      Other
      •249•540•519•60•Updated Feb 13, 2026Feb 13, 2026

    • aiida-atomistic

      Public
      AiiDA plugin which contains data and methods for atomistic simulations.
      Python
      •
      MIT License
      •9•3•10•1•Updated Feb 13, 2026Feb 13, 2026

    • acwf-verification-scripts

      Public
      Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification
      Python
      •
      MIT License
      •19•10•2•1•Updated Feb 13, 2026Feb 13, 2026

    • aiida-restapi

      Public
      AiiDA Web API for data queries and workflow management.
      graphqlserverrest-api
      Python
      •
      MIT License
      •9•12•32•17•Updated Feb 11, 2026Feb 11, 2026

    • aiida-sssp-workflow

      Public
      sssp verification workflows
      Python
      •
      MIT License
      •2•5•5•3•Updated Feb 9, 2026Feb 9, 2026

    • aiida-hyperqueue

      Public
      AiiDA plugin for the HyperQueue metascheduler.
      aiidaworkflowsmetascheduler
      Python
      •
      MIT License
      •11•8•10•1•Updated Feb 9, 2026Feb 9, 2026

    • aiida-wannier90-workflows

      Public
      A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
      Python
      •
      Other
      •21•21•10•3•Updated Feb 5, 2026Feb 5, 2026

    • aiida-upgrade

      Public
      A tool to aide upgrades of plugins to new aiida-core version
      Python
      •
      MIT License
      •1•1•0•1•Updated Feb 2, 2026Feb 2, 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
      Python
      •
      MIT License
      •13•17•15•4•Updated Feb 2, 2026Feb 2, 2026

    • aiida-explorer

      Public
      A React component to explore AiiDA provenance
      provenanceaiidadata-provenance
      JavaScript
      •3•7•4•0•Updated Jan 28, 2026Jan 28, 2026

    • aiida-pythonjob

      Public
      Run Python functions on a remote computer.
      workflowhpcaiida
      Python
      •
      MIT License
      •6•2•5•2•Updated Jan 26, 2026Jan 26, 2026

    • aiida-website

      Public
      The primary website for AiiDA
      Python
      •
      MIT License
      •12•2•4•7•Updated Jan 23, 2026Jan 23, 2026

    • aiida-firecrest

      Public
      AiiDA Transport/Scheduler plugins for interfacing with FirecREST (https://products.cscs.ch/firecrest/)
      aiida-pluginfirecrest
      Python
      •
      MIT License
      •5•3•3•2•Updated Jan 15, 2026Jan 15, 2026

    • aiida-shell

      Public
      AiiDA plugin that makes running shell commands easy.
      pythonaiida
      Python
      •
      MIT License
      •7•17•5•0•Updated Jan 14, 2026Jan 14, 2026

    • aiida-common-workflows

      Public
      A repository for the implementation of common workflow interfaces across materials-science codes and plugins
      dftaiidacommon-workflows
      Python
      •
      MIT License
      •38•55•42•14•Updated Jan 9, 2026Jan 9, 2026

    • airflow-provider-aiida

      Public
      Python
      •1•4•0•7•Updated Jan 6, 2026Jan 6, 2026

    • aiida-cp2k

      Public
      The CP2K plugin for the AiiDA workflow and provenance engine.
      Python
      •
      MIT License
      •29•25•13•6•Updated Jan 5, 2026Jan 5, 2026

    • aiida-hubbard

      Public
      Self-consistent onsite and intersite Hubbard parameters from first-principles
      dftdfpthubbard
      Python
      •
      Other
      •1•8•6•1•Updated Dec 24, 2025Dec 24, 2025

    • aiida-quantumespresso-ph

      Public
      Advanced workflows for the PHonon code of Quantum ESPRESSO
      Python
      •
      Other
      •2•2•4•1•Updated Dec 19, 2025Dec 19, 2025

    • aiida-metapkg

      Public
      The aiida metapackage installs aiida-core plus some common dependencies
      Python
      •
      Other
      •3•0•0•1•Updated Dec 2, 2025Dec 2, 2025

    • aiida-tui

      Public
      A text-based user interface (TUI) for AiiDA
      MIT License
      •0•0•1•0•Updated Dec 1, 2025Dec 1, 2025

    • aiida-quantumespresso

      Public
      The official AiiDA plugin for Quantum ESPRESSO
      aiidaquantum-espresso
      Python
      •
      Other
      •97•74•126•27•Updated Nov 28, 2025Nov 28, 2025

    • aiida-abinit

      Public
      Python
      •
      Other
      •5•3•3•0•Updated Nov 28, 2025Nov 28, 2025

    • kiwipy

      Public
      A python messaging library for RPC, task queues and broadcasts
      pythonrabbitmq
      Python
      •
      Other
      •5•18•4•1•Updated Oct 22, 2025Oct 22, 2025

    • plumpy

      Public
      A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.
      pythonrabbitmqaiida
      Python
      •
      Other
      •19•9•21•7•Updated Oct 22, 2025Oct 22, 2025

    • aiida-resource-registry

      Public
      Resource registry for easy setup computer and code
      Python
      •7•5•10•3•Updated Oct 20, 2025Oct 20, 2025

    • qe-tools

      Public
      Python tools for Quantum ESPRESSO
      Python
      •
      MIT License
      •13•37•17•0•Updated Oct 12, 2025Oct 12, 2025

    • aiida-pseudo

      Public
      Python
      •
      MIT License
      •15•6•15•2•Updated Oct 5, 2025Oct 5, 2025