Repositories list

• 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

  •10•15•10•5•Updated Feb 4, 2025Feb 4, 2025

• aiida-cp2k

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

  Python

  •

  MIT License

  •29•23•13•5•Updated Feb 4, 2025Feb 4, 2025

• aiida-registry

  Public
  Find plugins for AiiDA

  Python

  •

  Other

  •66•16•4•4•Updated Feb 4, 2025Feb 4, 2025

• aiida-website

  Public
  The primary website for AiiDA

  Python

  •

  MIT License

  •7•2•3•4•Updated Feb 4, 2025Feb 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 Feb 4, 2025Feb 4, 2025

• aiida-sssp-workflow

  Public
  sssp verification workflows

  Python

  •

  MIT License

  •2•4•5•3•Updated Feb 4, 2025Feb 4, 2025

• aiida-hyperqueue

  Public
  AiiDA plugin for the HyperQueue metascheduler.

  aiidaworkflowsmetascheduler

  Python

  •

  MIT License

  •9•6•9•1•Updated Feb 4, 2025Feb 4, 2025

• aiida-firecrest

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

  aiida-pluginfirecrest

  Python

  •

  MIT License

  •3•3•18•4•Updated Feb 4, 2025Feb 4, 2025

• aiida-quantumespresso

  Public
  The official AiiDA plugin for Quantum ESPRESSO

  aiidaquantum-espresso

  Python

  •

  Other

  •82•58•109•25•Updated Feb 3, 2025Feb 3, 2025

• aiida-resource-registry

  Public
  Resource registry for easy setup computer and code

  Python

  •6•2•9•2•Updated Feb 2, 2025Feb 2, 2025

• aiida-core

  Public
  The official repository for the AiiDA code

  sshdatabaseworkflow-engine+ 7schedulerprovenanceaiidacomputational-scienceworkflowsdata-provenanceworkflow

  Python

  •

  Other

  •200•457•445•38•Updated Feb 1, 2025Feb 1, 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

  •6•10•67•11•Updated Jan 28, 2025Jan 28, 2025

• aiida-pythonjob

  Public
  Run Python functions on a remote computer.

  workflowhpcaiida

  Python

  •

  MIT License

  •2•1•3•1•Updated Jan 28, 2025Jan 28, 2025

• aiida-quantumespresso-hp

  Public
  Python

  •

  MIT License

  •0•4•9•2•Updated Jan 23, 2025Jan 23, 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

  •17•8•17•10•Updated Jan 17, 2025Jan 17, 2025

• aiida-pseudo

  Public
  Python

  •

  MIT License

  •10•5•12•0•Updated Jan 13, 2025Jan 13, 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

  •10•8•6•4•Updated Jan 10, 2025Jan 10, 2025

• aiida-test-cache

  Public
  A pytest plugin to simplify testing of AiiDA plugins.

  testingpytestaiida

  Python

  •

  MIT License

  •8•7•17•3•Updated Jan 8, 2025Jan 8, 2025

• acwf-verification-scripts

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

  Python

  •

  MIT License

  •13•6•2•1•Updated Dec 19, 2024Dec 19, 2024

• aiida-restapi

  Public
  AiiDA Web API for data queries and workflow management.

  graphqlserverrest-api

  Python

  •

  MIT License

  •7•10•23•7•Updated Dec 7, 2024Dec 7, 2024

• aiida-wannier90-workflows

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

  Python

  •

  Other

  •18•17•7•1•Updated Dec 6, 2024Dec 6, 2024

• aiida-workgraph-web-ui

  Public
  JavaScript

  •

  MIT License

  •0•1•4•1•Updated Dec 3, 2024Dec 3, 2024

• kiwipy

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

  pythonrabbitmq

  Python

  •

  Other

  •4•17•3•0•Updated Dec 2, 2024Dec 2, 2024

• qe-tools

  Public
  A set of useful tools for Quantum ESPRESSO

  Python

  •

  MIT License

  •13•31•7•1•Updated Nov 21, 2024Nov 21, 2024

• aiida-common-workflows

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

  dftaiidacommon-workflows

  Python

  •

  MIT License

  •32•52•39•10•Updated Nov 12, 2024Nov 12, 2024

• aiida-optimade

  Public
  OPTIMADE RESTful API implementation for AiiDA

  Python

  •

  MIT License

  •7•6•18•14•Updated Oct 28, 2024Oct 28, 2024

• aiida-blog

  Public archive
  Single page or other short miscelaneous documentation

  MIT License

  •1•0•1•1•Updated Oct 21, 2024Oct 21, 2024

• aiida-metapkg

  Public
  The aiida metapackage installs aiida-core plus some common dependencies

  Python

  •

  Other

  •2•0•0•0•Updated Oct 15, 2024Oct 15, 2024

• aiida-code-registry

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

  Python

  •11•2•11•5•Updated Oct 8, 2024Oct 8, 2024

• aiida-tutorials

  Public
  AiiDA tutorials web site

  Shell

  •37•23•63•5•Updated Sep 12, 2024Sep 12, 2024