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    66 repositories

    • aiida-registry

      Public
      Find plugins for AiiDA
      Python
      •
      Other
      •64•16•5•5•Updated Oct 8, 2024Oct 8, 2024

    • aiida-website

      Public
      The primary website for AiiDA
      Python
      •
      MIT License
      •7•1•3•4•Updated Oct 8, 2024Oct 8, 2024

    • aiida-sssp-workflow

      Public
      sssp verification workflows
      Python
      •
      MIT License
      •1•3•5•3•Updated Oct 8, 2024Oct 8, 2024

    • aiida-hyperqueue

      Public
      AiiDA plugin for the HyperQueue metascheduler.
      aiidaworkflowsmetascheduler
      Python
      •
      MIT License
      •8•5•8•1•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

    • aiida-core

      Public
      The official repository for the AiiDA code
      sshdatabaseworkflow-engineschedulerprovenanceaiidacomputational-scienceworkflowsdata-provenanceworkflow
      Python
      •
      Other
      •186•433•414•20•Updated Oct 7, 2024Oct 7, 2024

    • aiida-metapkg

      Public
      The aiida metapackage installs aiida-core plus some common dependencies
      Python
      •
      Other
      •1•0•0•0•Updated Oct 7, 2024Oct 7, 2024

    • aiida-optimade

      Public
      OPTIMADE RESTful API implementation for AiiDA
      Python
      •
      MIT License
      •7•6•18•14•Updated Oct 7, 2024Oct 7, 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
      •16•16•7•1•Updated Oct 1, 2024Oct 1, 2024

    • aiida-quantumespresso

      Public
      The official AiiDA plugin for Quantum ESPRESSO
      aiidaquantum-espresso
      Python
      •
      Other
      •78•53•108•28•Updated Sep 27, 2024Sep 27, 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 Sep 26, 2024Sep 26, 2024

    • aiida-workgraph

      Public
      Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
      scienceworkflowdatabaseaiidamaterials-scienceprovenance-trackingnodetree
      Python
      •
      MIT License
      •5•9•65•12•Updated Sep 23, 2024Sep 23, 2024

    • aiida-resource-registry

      Public
      Resource registry for easy setup computer and code
      Python
      •6•2•9•2•Updated Sep 18, 2024Sep 18, 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•3•Updated Sep 17, 2024Sep 17, 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•22•13•7•Updated Sep 10, 2024Sep 10, 2024

    • aiida-explorer

      Public
      A React component to explore AiiDA provenance
      provenanceaiidadata-provenance
      JavaScript
      •
      MIT License
      •1•4•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•15•1•Updated Aug 21, 2024Aug 21, 2024

    • 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•7•4•Updated Aug 6, 2024Aug 6, 2024

    • aiida-upgrade

      Public
      A tool to aide upgrades of plugins to new aiida-core version
      Python
      •
      MIT License
      •1•1•0•1•Updated Aug 5, 2024Aug 5, 2024

    • aiida-qe-demo

      Public
      A demonstration tutorial of using aiida-quantumespresso
      Jupyter Notebook
      •
      MIT License
      •1•1•0•2•Updated Aug 5, 2024Aug 5, 2024

    • qe-tools

      Public
      A set of useful tools for Quantum ESPRESSO
      Python
      •
      MIT License
      •14•29•7•4•Updated Jul 29, 2024Jul 29, 2024

    • aiida-restapi

      Public
      AiiDA Web API for data queries and workflow management.
      graphqlserverrest-api
      Python
      •
      MIT License
      •7•10•23•4•Updated Jul 25, 2024Jul 25, 2024

    • aiida-diff

      Public
      AiiDA demo plugin that computes the difference between two files.
      aiida-plugin
      Python
      •
      MIT License
      •10•2•0•1•Updated Jul 24, 2024Jul 24, 2024

    • acwf-verification-scripts

      Public
      Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification
      Python
      •
      MIT License
      •12•6•2•0•Updated Jul 12, 2024Jul 12, 2024

    • pgsu

      Public
      Connect to an existing PostgreSQL cluster as the `postgres` superuser and execute SQL commands.
      Python
      •
      MIT License
      •1•0•0•0•Updated May 30, 2024May 30, 2024

    • aiida-project

      Public
      AiiDA project manager
      Python
      •
      Other
      •7•3•13•4•Updated May 15, 2024May 15, 2024