Repositories list

• aiida-registry

  Public
  Find plugins for AiiDA

  Python

  •

  Other

  •69•18•6•8•Updated Aug 3, 2025Aug 3, 2025

• aiida-core

  Public
  The official repository for the AiiDA code

  sshdatabaseworkflow-engine+ 7schedulerprovenanceaiidacomputational-scienceworkflowsdata-provenanceworkflow

  Python

  •

  Other

  •228•493•488•60•Updated Aug 3, 2025Aug 3, 2025

• aiida-quantumespresso

  Public
  The official AiiDA plugin for Quantum ESPRESSO

  aiidaquantum-espresso

  Python

  •

  Other

  •94•67•114•27•Updated Aug 3, 2025Aug 3, 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

  •10•14•70•10•Updated Jul 30, 2025Jul 30, 2025

• aiida-atomistic

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

  Python

  •

  MIT License

  •9•3•28•1•Updated Jul 29, 2025Jul 29, 2025

• aiida-hyperqueue

  Public
  AiiDA plugin for the HyperQueue metascheduler.

  aiidaworkflowsmetascheduler

  Python

  •

  MIT License

  •11•8•10•1•Updated Jul 28, 2025Jul 28, 2025

• aiida-sssp-workflow

  Public
  sssp verification workflows

  Python

  •

  MIT License

  •2•5•5•3•Updated Jul 28, 2025Jul 28, 2025

• aiida-firecrest

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

  aiida-pluginfirecrest

  Python

  •

  MIT License

  •4•3•8•3•Updated Jul 28, 2025Jul 28, 2025

• aiida-resource-registry

  Public
  Resource registry for easy setup computer and code

  Python

  •7•4•10•3•Updated Jul 28, 2025Jul 28, 2025

• aiida-wannier90-workflows

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

  Python

  •

  Other

  •19•20•9•1•Updated Jul 25, 2025Jul 25, 2025

• renku2-aiida-integration

  Public
  Files for the integration between AiiDA archives hosted on Materials Cloud Archive and Renku v2

  Jupyter Notebook

  •1•0•2•1•Updated Jul 24, 2025Jul 24, 2025

• acwf-verification-scripts

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

  Python

  •

  MIT License

  •17•7•2•2•Updated Jul 18, 2025Jul 18, 2025

• aiida-gui

  Public
  Web UI to visualize and manage the AiiDA.

  guiaiida

  Python

  •

  MIT License

  •2•1•12•0•Updated Jul 17, 2025Jul 17, 2025

• aiida-upgrade

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

  Python

  •

  MIT License

  •1•1•0•1•Updated Jul 7, 2025Jul 7, 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

  •11•16•11•4•Updated Jul 7, 2025Jul 7, 2025

• aiida-cp2k

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

  Python

  •

  MIT License

  •29•25•13•6•Updated Jul 7, 2025Jul 7, 2025

• aiida-project

  Public
  AiiDA project manager

  Python

  •

  Other

  •8•4•13•4•Updated Jul 7, 2025Jul 7, 2025

• aiida-hubbard

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

  dftdfpthubbard

  Python

  •

  Other

  •1•5•11•0•Updated Jul 4, 2025Jul 4, 2025

• aiida-website

  Public
  The primary website for AiiDA

  Python

  •

  MIT License

  •9•2•3•3•Updated Jul 2, 2025Jul 2, 2025

• aiida-pseudo

  Public
  Python

  •

  MIT License

  •13•6•12•1•Updated Jul 1, 2025Jul 1, 2025

• aiida-code-registry

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

  Python

  •11•2•12•6•Updated Jun 25, 2025Jun 25, 2025

• aiida-test-cache

  Public
  A pytest plugin to simplify testing of AiiDA plugins.

  testingpytestaiida

  Python

  •

  MIT License

  •8•7•16•4•Updated Jun 24, 2025Jun 24, 2025

• qe-tools

  Public
  A set of useful tools for Quantum ESPRESSO

  Python

  •

  MIT License

  •13•33•10•0•Updated Jun 17, 2025Jun 17, 2025

• aiida-pythonjob

  Public
  Run Python functions on a remote computer.

  workflowhpcaiida

  Python

  •

  MIT License

  •5•2•9•1•Updated Jun 3, 2025Jun 3, 2025

• kiwipy

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

  pythonrabbitmq

  Python

  •

  Other

  •4•17•3•1•Updated May 6, 2025May 6, 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•20•8•Updated May 1, 2025May 1, 2025

• aiida-plugin-cutter

  Public
  Cookie cutter recipe for AiiDA plugins.

  Python

  •12•9•8•0•Updated Apr 8, 2025Apr 8, 2025

• aiida-abinit

  Public
  Python

  •

  Other

  •3•2•1•0•Updated Apr 4, 2025Apr 4, 2025

• 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

  •11•9•7•4•Updated Jan 10, 2025Jan 10, 2025

• aiida-restapi

  Public
  AiiDA Web API for data queries and workflow management.

  graphqlserverrest-api

  Python

  •

  MIT License

  •7•11•25•7•Updated Dec 7, 2024Dec 7, 2024