Repositories list

• aiida-wannier90-workflows

  Public
  A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code

  Python

  •

  Other

  •21•20•9•3•Updated Nov 18, 2025Nov 18, 2025

• airflow-provider-aiida

  Public
  Python

  •1•3•0•2•Updated Nov 18, 2025Nov 18, 2025

• aiida-quantumespresso

  Public
  The official AiiDA plugin for Quantum ESPRESSO

  aiidaquantum-espresso

  Python

  •

  Other

  •95•71•117•18•Updated Nov 18, 2025Nov 18, 2025

• aiida-registry

  Public
  Find plugins for AiiDA

  Python

  •

  Other

  •70•18•7•8•Updated Nov 17, 2025Nov 17, 2025

• aiida-hyperqueue

  Public
  AiiDA plugin for the HyperQueue metascheduler.

  aiidaworkflowsmetascheduler

  Python

  •

  MIT License

  •11•8•10•1•Updated Nov 17, 2025Nov 17, 2025

• aiida-sssp-workflow

  Public
  sssp verification workflows

  Python

  •

  MIT License

  •2•5•5•3•Updated Nov 17, 2025Nov 17, 2025

• aiida-firecrest

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

  aiida-pluginfirecrest

  Python

  •

  MIT License

  •4•3•10•6•Updated Nov 17, 2025Nov 17, 2025

• aiida-core

  Public
  The official repository for the AiiDA code

  sshworkflowdatabase+ 7workflow-engineschedulerprovenanceaiidacomputational-scienceworkflowsdata-provenance

  Python

  •

  Other

  •233•514•518•53•Updated Nov 17, 2025Nov 17, 2025

• aiida-workgraph

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

  scienceworkflowdatabase+ 4aiidamaterials-scienceprovenance-trackingnodetree

  Python

  •

  MIT License

  •14•21•54•5•Updated Nov 17, 2025Nov 17, 2025

• aiida-explorer

  Public
  A React component to explore AiiDA provenance

  provenanceaiidadata-provenance

  JavaScript

  •3•5•1•0•Updated Nov 14, 2025Nov 14, 2025

• 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•13•5•Updated Nov 12, 2025Nov 12, 2025

• aiida-website

  Public
  The primary website for AiiDA

  Python

  •

  MIT License

  •9•2•4•5•Updated Nov 10, 2025Nov 10, 2025

• aiida-atomistic

  Public
  AiiDA plugin which contains data and methods for atomistic simulations.

  Python

  •

  MIT License

  •9•3•29•1•Updated Nov 5, 2025Nov 5, 2025

• acwf-verification-scripts

  Public
  Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification

  Python

  •

  MIT License

  •18•8•2•2•Updated Nov 4, 2025Nov 4, 2025

• aiida-common-workflows

  Public
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins

  dftaiidacommon-workflows

  Python

  •

  MIT License

  •36•55•41•12•Updated Nov 4, 2025Nov 4, 2025

• aiida-upgrade

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

  Python

  •

  MIT License

  •1•1•0•1•Updated Nov 3, 2025Nov 3, 2025

• aiida-pythonjob

  Public
  Run Python functions on a remote computer.

  workflowhpcaiida

  Python

  •

  MIT License

  •5•2•5•1•Updated Oct 24, 2025Oct 24, 2025

• kiwipy

  Public
  A python messaging library for RPC, task queues and broadcasts

  pythonrabbitmq

  Python

  •

  Other

  •5•17•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

  •18•9•21•5•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

• aiida-hubbard

  Public
  Self-consistent onsite and intersite Hubbard parameters from first-principles

  dftdfpthubbard

  Python

  •

  Other

  •1•7•9•0•Updated Oct 13, 2025Oct 13, 2025

• qe-tools

  Public
  Python tools for Quantum ESPRESSO

  Python

  •

  MIT License

  •13•36•17•0•Updated Oct 12, 2025Oct 12, 2025

• aiida-cp2k

  Public
  The CP2K plugin for the AiiDA workflow and provenance engine.

  Python

  •

  MIT License

  •29•25•13•6•Updated Oct 6, 2025Oct 6, 2025

• aiida-pseudo

  Public
  Python

  •

  MIT License

  •14•6•15•1•Updated Oct 5, 2025Oct 5, 2025

• aiida-tutorials

  Public
  AiiDA tutorials web site

  Shell

  •38•24•63•5•Updated Oct 2, 2025Oct 2, 2025

• aiida-project

  Public
  AiiDA project manager

  Python

  •

  Other

  •10•6•14•2•Updated Oct 2, 2025Oct 2, 2025

• aiida-quantumespresso-ph

  Public
  phonon workchains

  Python

  •

  Other

  •0•1•4•0•Updated Sep 26, 2025Sep 26, 2025

• aiida-gui

  Public
  Web UI to visualize and manage the AiiDA.

  guiaiida

  Python

  •

  MIT License

  •3•2•12•0•Updated Sep 18, 2025Sep 18, 2025

• aiida-codtools

  Public
  AiiDA plugin for COD tools

  Python

  •

  MIT License

  •7•0•1•2•Updated Aug 27, 2025Aug 27, 2025

• aiida-code-registry

  Public
  Registry of simulation codes and computers for easy setup in AiiDA.

  Python

  •11•2•12•7•Updated Aug 11, 2025Aug 11, 2025