Repositories list

• aiida-registry

  Public
  Find plugins for AiiDA

  Python

  •

  Other

  •66•16•4•5•Updated Nov 24, 2024Nov 24, 2024

• aiida-core

  Public
  The official repository for the AiiDA code

  sshdatabaseworkflow-engine+ 7schedulerprovenanceaiidacomputational-scienceworkflowsdata-provenanceworkflow

  Python

  •

  Other

  •191•436•420•35•Updated Nov 22, 2024Nov 22, 2024

• aiida-test-cache

  Public
  A pytest plugin to simplify testing of AiiDA plugins.

  testingpytestaiida

  Python

  •

  MIT License

  •8•7•19•3•Updated Nov 22, 2024Nov 22, 2024

• aiida-restapi

  Public
  AiiDA Web API for data queries and workflow management.

  graphqlserverrest-api

  Python

  •

  MIT License

  •7•10•23•10•Updated Nov 21, 2024Nov 21, 2024

• qe-tools

  Public
  A set of useful tools for Quantum ESPRESSO

  Python

  •

  MIT License

  •14•30•7•1•Updated Nov 21, 2024Nov 21, 2024

• 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

  •5•10•72•12•Updated Nov 21, 2024Nov 21, 2024

• aiida-quantumespresso

  Public
  The official AiiDA plugin for Quantum ESPRESSO

  aiidaquantum-espresso

  Python

  •

  Other

  •82•55•109•28•Updated Nov 20, 2024Nov 20, 2024

• aiida-sssp-workflow

  Public
  sssp verification workflows

  Python

  •

  MIT License

  •2•3•5•4•Updated Nov 18, 2024Nov 18, 2024

• aiida-hyperqueue

  Public
  AiiDA plugin for the HyperQueue metascheduler.

  aiidaworkflowsmetascheduler

  Python

  •

  MIT License

  •9•5•8•1•Updated Nov 18, 2024Nov 18, 2024

• aiida-pythonjob

  Public
  Run Python functions on a remote computer.

  MIT License

  •0•0•0•0•Updated Nov 18, 2024Nov 18, 2024

• aiida-website

  Public
  The primary website for AiiDA

  Python

  •

  MIT License

  •7•2•3•3•Updated Nov 15, 2024Nov 15, 2024

• 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 Nov 13, 2024Nov 13, 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

  •31•52•39•9•Updated Nov 12, 2024Nov 12, 2024

• 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

  •8•16•9•2•Updated Nov 4, 2024Nov 4, 2024

• aiida-upgrade

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

  Python

  •

  MIT License

  •1•1•0•1•Updated Nov 4, 2024Nov 4, 2024

• aiida-firecrest

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

  aiida-pluginfirecrest

  Python

  •

  MIT License

  •3•2•16•4•Updated Nov 4, 2024Nov 4, 2024

• aiida-pseudo

  Public
  Python

  •

  MIT License

  •9•5•11•1•Updated Nov 4, 2024Nov 4, 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-resource-registry

  Public
  Resource registry for easy setup computer and code

  Python

  •6•2•9•2•Updated Oct 8, 2024Oct 8, 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

• 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•7•Updated Oct 2, 2024Oct 2, 2024

• aiida-quantumespresso-hp

  Public
  Python

  •

  MIT License

  •0•3•9•2•Updated Oct 2, 2024Oct 2, 2024

• aiida-wannier90-workflows

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

  Python

  •

  Other

  •17•16•7•1•Updated Oct 1, 2024Oct 1, 2024

• aiida-tutorials

  Public
  AiiDA tutorials web site

  Shell

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

• aiida-plugin-cutter

  Public
  Cookie cutter recipe for AiiDA plugins.

  Python

  •12•9•8•0•Updated Sep 10, 2024Sep 10, 2024

• aiida-cp2k

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

  Python

  •

  MIT License

  •28•23•14•7•Updated Sep 10, 2024Sep 10, 2024

• aiida-explorer

  Public
  A React component to explore AiiDA provenance

  provenanceaiidadata-provenance

  JavaScript

  •

  MIT License

  •1•5•6•0•Updated Aug 31, 2024Aug 31, 2024

• aiida-atomistic

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

  Python

  •

  MIT License

  •7•3•20•1•Updated Aug 21, 2024Aug 21, 2024