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    79 repositories

    • aiida-registry

      Public
      Find plugins for AiiDA
      HTML
      •
      Other
      •75•21•10•7•Updated Jun 17, 2026Jun 17, 2026

    • aiida-agents

      Public
      AiiDA agents (GSoC scaffolding)
      Python
      •
      MIT License
      •1•1•3•3•Updated Jun 17, 2026Jun 17, 2026

    • 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
      pythonrabbitmqaiida
      Python
      •
      Other
      •20•9•22•8•Updated Jun 17, 2026Jun 17, 2026

    • aiida-restapi

      Public
      AiiDA Web API for data queries and workflow management.
      graphqlserverrest-api
      graphqlserverrest-api
      Python
      •
      MIT License
      •10•11•41•10•Updated Jun 17, 2026Jun 17, 2026

    • aiida-sssp-workflow

      Public
      sssp verification workflows
      Python
      •
      MIT License
      •3•6•5•3•Updated Jun 15, 2026Jun 15, 2026

    • aiida-hyperqueue

      Public
      AiiDA plugin for the HyperQueue metascheduler.
      aiidaworkflowsmetascheduler
      aiidaworkflowsmetascheduler
      Python
      •
      MIT License
      •12•8•10•2•Updated Jun 15, 2026Jun 15, 2026

    • aiida-core

      Public
      The official repository for the AiiDA code
      sshworkflowdatabase
      sshworkflowdatabaseworkflow-engineschedulerprovenanceaiidacomputational-scienceworkflowsdata-provenance
      Python
      •
      Other
      •260•570•553•68•Updated Jun 15, 2026Jun 15, 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
      •14•16•14•3•Updated Jun 12, 2026Jun 12, 2026

    • aiida-website

      Public
      The primary website for AiiDA
      TypeScript
      •
      MIT License
      •14•4•16•9•Updated Jun 10, 2026Jun 10, 2026

    • aiida-quantumespresso

      Public
      The official AiiDA plugin for Quantum ESPRESSO
      aiidaquantum-espresso
      aiidaquantum-espresso
      Python
      •
      Other
      •102•85•133•30•Updated Jun 9, 2026Jun 9, 2026

    • aiida-hubbard

      Public
      Self-consistent onsite and intersite Hubbard parameters from first-principles
      dftdfpthubbard
      dftdfpthubbard
      Python
      •
      Other
      •3•9•8•2•Updated Jun 8, 2026Jun 8, 2026

    • aiida-pythonjob

      Public
      Run Python functions on a remote computer.
      workflowhpcaiida
      workflowhpcaiida
      Python
      •
      MIT License
      •8•2•8•4•Updated Jun 2, 2026Jun 2, 2026

    • aiida-upgrade

      Public
      A tool to aide upgrades of plugins to new aiida-core version
      Python
      •
      MIT License
      •1•1•0•1•Updated Jun 1, 2026Jun 1, 2026

    • qe-tools

      Public
      Python tools for Quantum ESPRESSO
      Python
      •
      MIT License
      •15•43•20•0•Updated May 29, 2026May 29, 2026

    • aiida-workgraph

      Public
      Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
      scienceworkflowdatabase
      scienceworkflowdatabaseaiidamaterials-scienceprovenance-trackingnodetree
      Python
      •
      MIT License
      •15•28•77•9•Updated May 27, 2026May 27, 2026

    • aiida-shell

      Public
      AiiDA plugin that makes running shell commands easy.
      pythonaiida
      pythonaiida
      Python
      •
      MIT License
      •9•17•6•1•Updated May 21, 2026May 21, 2026

    • gsrd

      Public
      Gray-Scott model reaction-diffusion simulation
      Python
      •
      MIT License
      •1•0•0•0•Updated May 12, 2026May 12, 2026

    • aiida-wannier90-workflows

      Public
      A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
      Python
      •
      Other
      •24•25•9•1•Updated May 8, 2026May 8, 2026

    • aiida-pseudo

      Public
      Python
      •
      MIT License
      •17•6•14•2•Updated Apr 30, 2026Apr 30, 2026

    • .github

      Public
      AiiDA organization profile and shared community health files
      0•0•0•0•Updated Apr 28, 2026Apr 28, 2026

    • aiida-project

      Public
      AiiDA project manager
      Python
      •
      Other
      •11•7•15•4•Updated Apr 23, 2026Apr 23, 2026

    • aiida-explorer

      Public
      A React component to explore AiiDA provenance
      provenanceaiidadata-provenance
      provenanceaiidadata-provenance
      JavaScript
      •4•8•8•0•Updated Apr 17, 2026Apr 17, 2026

    • kiwipy

      Public
      A python messaging library for RPC, task queues and broadcasts
      pythonrabbitmq
      pythonrabbitmq
      Python
      •
      Other
      •6•18•4•2•Updated Apr 13, 2026Apr 13, 2026

    • aiida-atomistic

      Public
      AiiDA plugin which contains data and methods for atomistic simulations.
      Python
      •
      MIT License
      •8•3•9•1•Updated Apr 9, 2026Apr 9, 2026

    • aiida-cp2k

      Public
      The CP2K plugin for the AiiDA workflow and provenance engine.
      Python
      •
      MIT License
      •29•26•13•6•Updated Apr 6, 2026Apr 6, 2026

    • aiida-firecrest

      Public
      AiiDA Transport/Scheduler plugins for interfacing with FirecREST (https://products.cscs.ch/firecrest/)
      aiida-pluginfirecrest
      aiida-pluginfirecrest
      Python
      •
      MIT License
      •5•3•3•4•Updated Apr 6, 2026Apr 6, 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 24, 2026Feb 24, 2026

    • aiida-common-workflows

      Public
      A repository for the implementation of common workflow interfaces across materials-science codes and plugins
      dftaiidacommon-workflows
      dftaiidacommon-workflows
      Python
      •
      MIT License
      •39•57•43•15•Updated Jan 9, 2026Jan 9, 2026

    • airflow-provider-aiida

      Public
      Python
      •1•5•0•7•Updated Jan 6, 2026Jan 6, 2026

    • aiida-quantumespresso-ph

      Public
      Advanced workflows for the PHonon code of Quantum ESPRESSO
      Python
      •
      Other
      •3•2•4•1•Updated Dec 19, 2025Dec 19, 2025
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