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    • Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
      Python
      1425606Updated Feb 15, 2026Feb 15, 2026
    • Find plugins for AiiDA
      Python
      711977Updated Feb 14, 2026Feb 14, 2026
    • The official repository for the AiiDA code
      Python
      24954051960Updated Feb 13, 2026Feb 13, 2026
    • AiiDA plugin which contains data and methods for atomistic simulations.
      Python
      93101Updated Feb 13, 2026Feb 13, 2026
    • Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification
      Python
      191021Updated Feb 13, 2026Feb 13, 2026
    • aiida-restapi

      Public
      AiiDA Web API for data queries and workflow management.
      Python
      9123217Updated Feb 11, 2026Feb 11, 2026
    • aiida-sssp-workflow

      Public
      sssp verification workflows
      Python
      2553Updated Feb 9, 2026Feb 9, 2026
    • AiiDA plugin for the HyperQueue metascheduler.
      Python
      118101Updated Feb 9, 2026Feb 9, 2026
    • A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
      Python
      2121103Updated Feb 5, 2026Feb 5, 2026
    • aiida-upgrade

      Public
      A tool to aide upgrades of plugins to new aiida-core version
      Python
      1101Updated Feb 2, 2026Feb 2, 2026
    • An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server
      Python
      1317154Updated Feb 2, 2026Feb 2, 2026
    • A React component to explore AiiDA provenance
      JavaScript
      3740Updated Jan 28, 2026Jan 28, 2026
    • Run Python functions on a remote computer.
      Python
      6252Updated Jan 26, 2026Jan 26, 2026
    • The primary website for AiiDA
      Python
      12247Updated Jan 23, 2026Jan 23, 2026
    • AiiDA Transport/Scheduler plugins for interfacing with FirecREST (https://products.cscs.ch/firecrest/)
      Python
      5332Updated Jan 15, 2026Jan 15, 2026
    • AiiDA plugin that makes running shell commands easy.
      Python
      71750Updated Jan 14, 2026Jan 14, 2026
    • A repository for the implementation of common workflow interfaces across materials-science codes and plugins
      Python
      38554214Updated Jan 9, 2026Jan 9, 2026
    • Python
      1407Updated Jan 6, 2026Jan 6, 2026
    • The CP2K plugin for the AiiDA workflow and provenance engine.
      Python
      2925136Updated Jan 5, 2026Jan 5, 2026
    • Self-consistent onsite and intersite Hubbard parameters from first-principles
      Python
      1861Updated Dec 24, 2025Dec 24, 2025
    • Advanced workflows for the PHonon code of Quantum ESPRESSO
      Python
      2241Updated Dec 19, 2025Dec 19, 2025
    • The aiida metapackage installs aiida-core plus some common dependencies
      Python
      3001Updated Dec 2, 2025Dec 2, 2025
    • aiida-tui

      Public
      A text-based user interface (TUI) for AiiDA
      0010Updated Dec 1, 2025Dec 1, 2025
    • The official AiiDA plugin for Quantum ESPRESSO
      Python
      977412627Updated Nov 28, 2025Nov 28, 2025
    • Python
      5330Updated Nov 28, 2025Nov 28, 2025
    • kiwipy

      Public
      A python messaging library for RPC, task queues and broadcasts
      Python
      51841Updated 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.
      Python
      199217Updated Oct 22, 2025Oct 22, 2025
    • Resource registry for easy setup computer and code
      Python
      75103Updated Oct 20, 2025Oct 20, 2025
    • qe-tools

      Public
      Python tools for Quantum ESPRESSO
      Python
      1337170Updated Oct 12, 2025Oct 12, 2025
    • Python
      156152Updated Oct 5, 2025Oct 5, 2025