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    82 repositories

    • aiida-hyperqueue

      Public
      AiiDA plugin for the HyperQueue metascheduler.
      aiidaworkflowsmetascheduler
      aiidaworkflowsmetascheduler
      Python
      •
      MIT License
      •13•8•10•3•Updated Aug 17, 2026Aug 17, 2026

    • aiida-registry

      Public
      Find plugins for AiiDA
      HTML
      •
      Other
      •77•21•10•9•Updated Aug 17, 2026Aug 17, 2026

    • aiida-sssp-workflow

      Public
      sssp verification workflows
      Python
      •
      MIT License
      •3•7•5•3•Updated Aug 17, 2026Aug 17, 2026

    • aiida-hubbard

      Public
      Self-consistent onsite and intersite Hubbard parameters from first-principles
      dftdfpthubbard
      dftdfpthubbard
      Python
      •
      Other
      •3•9•8•1•Updated Aug 17, 2026Aug 17, 2026

    • aiida-core

      Public
      The official repository for the AiiDA code
      sshworkflowdatabase
      sshworkflowdatabaseworkflow-engineschedulerprovenanceaiidacomputational-scienceworkflowsdata-provenance
      Python
      •
      Other
      •261•577•579•88•Updated Aug 17, 2026Aug 17, 2026

    • aiida-wannier90-workflows

      Public
      A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
      Python
      •
      Other
      •25•24•15•13•Updated Aug 17, 2026Aug 17, 2026

    • aiida-agents

      Public
      AiiDA agents (GSoC 2026 project)
      Python
      •
      MIT License
      •2•4•7•4•Updated Aug 17, 2026Aug 17, 2026

    • gsrd

      Public
      Gray-Scott model reaction-diffusion simulation
      Python
      •
      MIT License
      •1•0•0•0•Updated Aug 17, 2026Aug 17, 2026

    • aiida-quantumespresso

      Public
      The official AiiDA plugin for Quantum ESPRESSO
      aiidaquantum-espresso
      aiidaquantum-espresso
      Python
      •
      Other
      •101•89•128•31•Updated Aug 14, 2026Aug 14, 2026

    • aiida-shell

      Public
      AiiDA plugin that makes running shell commands easy.
      pythonaiida
      pythonaiida
      Python
      •
      MIT License
      •10•16•6•2•Updated Aug 13, 2026Aug 13, 2026

    • staged-recipes

      Public
      A place to submit conda recipes before they become fully fledged conda-forge feedstocks
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •6.3k•0•0•0•Updated Aug 12, 2026Aug 12, 2026

    • keyringrs

      Public
      python binding for keyring-rs (Cross-platform library and utility to manage passwords)
      Python
      •
      Apache License 2.0
      •1•1•1•1•Updated Aug 12, 2026Aug 12, 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 Aug 11, 2026Aug 11, 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 Aug 11, 2026Aug 11, 2026

    • aiida-cp2k

      Public
      The CP2K plugin for the AiiDA workflow and provenance engine.
      Python
      •
      MIT License
      •28•25•13•9•Updated Aug 11, 2026Aug 11, 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
      •16•29•81•17•Updated Aug 10, 2026Aug 10, 2026

    • aiida-restapi

      Public
      AiiDA Web API for data queries and workflow management.
      graphqlserverrest-api
      graphqlserverrest-api
      Python
      •
      MIT License
      •10•11•37•6•Updated Aug 5, 2026Aug 5, 2026

    • aiida-website

      Public
      The primary website for AiiDA
      TypeScript
      •
      MIT License
      •14•4•13•7•Updated Aug 4, 2026Aug 4, 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 Aug 3, 2026Aug 3, 2026

    • aiida-upgrade

      Public
      A tool to aide upgrades of plugins to new aiida-core version
      Python
      •
      MIT License
      •1•1•0•1•Updated Aug 3, 2026Aug 3, 2026

    • aiida-gui

      Public
      Web UI to visualize and manage the AiiDA.
      guiaiida
      guiaiida
      Python
      •
      MIT License
      •4•2•12•0•Updated Jul 31, 2026Jul 31, 2026

    • aiida-rest-client

      Public
      TypeScript
      •
      MIT License
      •0•0•1•0•Updated Jul 30, 2026Jul 30, 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
      •21•9•22•14•Updated Jul 26, 2026Jul 26, 2026

    • aiida-pythonjob

      Public
      Run Python functions on a remote computer.
      workflowhpcaiida
      workflowhpcaiida
      Python
      •
      MIT License
      •8•2•10•3•Updated Jul 20, 2026Jul 20, 2026

    • aiida-submission-controller

      Public
      Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time
      Python
      •
      MIT License
      •13•10•8•4•Updated Jul 20, 2026Jul 20, 2026

    • aiida-explorer

      Public
      A React component to explore AiiDA provenance
      provenanceaiidadata-provenance
      provenanceaiidadata-provenance
      JavaScript
      •4•9•8•0•Updated Jul 18, 2026Jul 18, 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
      •41•60•43•14•Updated Jun 26, 2026Jun 26, 2026

    • qe-tools

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

    • aiida-pseudo

      Public
      Python
      •
      MIT License
      •17•6•16•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
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