Plugin registry
Community plugins extending AiiDA — simulation codes, data types, schedulers, transports, and workflows. Register your plugin here
Registered plugin packages: 106
106 plugins
AiiDA>=2.5,<3.0recent release2026-05-08Advanced AiiDA workflows for Wannier90
AiiDA>=2.0,<3recent release2026-05-05AiiDA plugin for running and parsing Octopus calculations
AiiDA>=2.8,<3.0recent release2026-05-04The official AiiDA plugin for Phonopy
AiiDA>=2.3,<3.0recent release2026-03-31The official AiiDA plugin for Quantum ESPRESSO
AiiDA>=2.8,<3.0recent release2026-03-24AiiDA plugin for vibrational spectoscopy using Quantum ESPRESSO.
AiiDA==2.8.0recent release2026-03-16AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
AiiDA>=2.6recent release2026-03-04AiiDA workflow plugin for the ChemShell chemical modelling software package
AiiDA>=2.6.1,<=2.6.3recent release2026-03-02AiiDA plugin that wraps amber molecular dynamics executables
AiiDA>=2.6.1,<=2.6.3recent release2026-03-02A plugin for using GROMACS with AiiDA for molecular dymanics simulations.
AiiDA>=2.7.1,<3recent release2026-03-01Run Python functions on a remote computer.
AiiDA>=2.7.0recent release2026-01-14AiiDA Transport/Scheduler plugins for interfacing with FirecREST.
AiiDA>=2.6.1,<3.0recent release2026-01-14AiiDA plugin that makes running shell commands easy.
AiiDA>=2.3,<2.6 || >2.6,<3.0recent release2025-12-19AiiDA plugin for the first-principles calculation of Hubbard parameters.
AiiDA>=2.6recent release2025-11-18AiiDA plugin for running VASP calculations and workflows.
AiiDA>=2.7,<3recent release2025-11-17Machine learning interatomic potentials AiiDA plugin
AiiDA>=2.0,<3recent release2025-11-16A plugin to interface AIMAll with AiiDA
AiiDA>=2.6,<3.0recent release2025-10-05AiiDA plugin that simplifies working with pseudo potentials.
AiiDA>=2.5recent release2025-08-26AiiDA Plugin to run simulations with the ICON weather & climate model
AiiDA>=1.6.4,<3recent release2025-08-21AiiDA plugin for the Supercell K-space Extremal Area Finder (SKEAF) code
AiiDA>=1.6.4,<3recent release2025-07-29AiiDA plugin provides the GroupPathX class
AiiDA>=1.0,<3recent release2025-07-17AiiDA data plugin for pandas DataFrame objects
Yet another computing scheduler and cloud orchestration engine
AiiDA*recent release2025-04-08Collections of node-based workflow created using aiida-workgraph.
AiiDA>=2.0.0,<3.0.0recent release2025-02-04The official AiiDA plugin for CP2K.
AiiDA>=2.0.0,<3.0.0recent release2024-12-05AiiDA plugin for the JuKKR codes
AiiDA>=2.0,<3.0recent release2024-10-08The official AiiDA plugin for INQ.
AiiDA>=2.0.0,<3.0.0recent release2024-09-25AiiDA plugin for the Gaussian quantum chemistry software.
AiiDA>=2.0,<3recent release2024-05-10AiiDA Plugin for the Wannier90 code
AiiDA>=1.6.3,<3recent release2024-01-10Translation layer for AiiDA-PyBigDFT
AiiDA>=2.5,<3.0recent release2024-01-03AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF).
AiiDA>=2.1.0recent release2023-11-03AiiDA Python
AiiDA>=2.0,<3.0recent release2023-10-04The AiiDA plugin for ABINIT.
AiiDA>=2.0,<3.0recent release2023-10-04The official AiiDA plugin for ASE.
AiiDA>=2.3,<3.0recent release2023-08-26AiiDA plugin for RASPA code
AiiDA>=2.3,<3.0recent release2023-08-26AiiDA plugin for zeo++
AiiDA>=2.0,<3.0recent release2023-08-22The official AiiDA plugin for NWChem
AiiDA plugin for the spirit code
AiiDA>=2.0.1,<3.0.0recent release2023-05-03AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workchains and utilities
AiiDA>=2.0.0,<3.0.0recent release2023-03-30AiiDA Plugin for running optimization algorithms.
AiiDA>=2.0,<3recent release2023-03-29AiiDA-Defects is a plugin for the AiiDA computational materials science framework, and provides tools and automated workflows for the study of defects in materials.
AiiDA>=2.1,<3.0recent release2023-02-02The Official AiiDA plugin for the cod-tools package.
AiiDA>=1.6.2recent release2022-07-22AiiDA data plugin to manage gaussian datatypes (basis sets and pseudopotentials) as first-class citizens
Collection of AiiDA WorkChains Developed in Morgan Group
AiiDA>=2.0.0,<3.0.0recent release2022-07-17A plugin for Siesta's basic functionality within the AiiDA framework.
AiiDA>=1.6.4,<3recent release2022-07-06Plugin to combine Wannier90 interpolations with GW corrections computed by Yambo
AiiDA>=2.0,<3.0recent release2022-05-26AiiDA plugin for CASTEP
AiiDA plugin for the Quantum Package 2.0
AiiDA plugin that wraps the vmc executable of CHAMP code for computing the total energy and much more stuff.
Simple statefile-driven task schedulers for AiiDA
AiiDA>=1.0.0a2recent release2020-11-05YAMBO plugin and workflows for AiiDA
AiiDA>=1.3.0,<2.0.0recent release2020-10-07AiiDA plugin adding a sshonly transport option, using only SSH to transfer files, avoiding SFTP, in case it's blocked or non functional on a remote system
AiiDA>=1.4.0,<2.0.0recent release2020-09-29AiiDA plugin for running the CRYSTAL17 code
AiiDA Plugin for running bands_inspect
AiiDA plugin for PorousMaterials code
AiiDA Plugin for running TBmodels
AiiDA Plugin for extracting tight-binding models
AiiDA Plugin for applying strain to structures
AiiDA Plugin for symmetry representations.
AiiDA1.0.0b5recent release2019-10-30AiiDA plugin for running the GULP MD code
AiiDA>=1.0.0b6,<2.0.0recent release2019-10-28Strawberry-based GraphQL API Server for AiiDA
AiiDA>=1.0.0b3,<2.0.0recent release2019-09-16AiiDA plugin providing support for Plumed2
AiiDA>=0.12.2,<1.0.0recent release2018-11-21AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).
AiiDA*recent release2018-06-21AiiDA plugin for the [GUDHI](http://gudhi.gforge.inria.fr/) library for topological data analysis.
AiiDA*recent release2018-06-21AiiDA plugin for persistence homology tools, used to analyze nanoporous materials.
AiiDA>=2.0.0,<3.0.0Car-Parrinello Work Chain with Quantum Espresso. This workchain does a full CP simulation, from the choice of the electronic mass and the timestep, to the choice of the best parallelization options, and then it does the NPT equilibration and a final NVE simulation at the prescribed P and T. Automates as much as possible.
AiiDA>=2.5,<3AiiDA plugin for ABACUS
AiiDA~=1.2AiiDA plugin to construct machine-learning potentials using aenet
AiiDA>=1.0.0a0Aiida Workflows for Elastic Constants using Quantum Espresso
AiiDA>=2.0,<3AiiDA AutoCAS Plugin
AiiDA>=1.1.0,<2.0.0AiiDA package that interfaces with Kinetic modelling code CatMAP
AiiDA>=1.0.0,<2.0.0AiiDA plugin for running cluster expansion using icet.
AiiDA<2.9.0Yet another AiiDA plugin for CRYSTAL code, mainly intended for use with the MPDS online ecosystem
AiiDA>=1.3.0,<2.0.0Custodian based VASP Plugin for AiiDA
AiiDA~=2.3AiiDA plugin for DDEC code
AiiDA>=2.5AiiDA plugin for DFTK
AiiDA>=2.5,<3AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
AiiDA>=1.6.5,<2.0.0AiiDA calculation plugin for doing nothing
AiiDA>=1.6AiiDA plugin for Environ
AiiDA plugin for FANS, an FFT-based homogenization solver.
AiiDA~=1.6AiiDA plugin for the FEniCS computing platform for solving partial differential equations.
AiiDA>=2.0,<3An AiiDA plugin for FHI-aims code
AiiDA plugin to allow using `fireworks` as the execution engine for `CalcJob`.
AiiDA>=1.6.5,<3.0.0AiiDA plugin for the FLEXPART code (simulation of atmospheric transport processes).
AiiDA>=0.12.0A plugin for Gollum functionality within AiiDA framework.
AiiDA>=1.0.0AiiDA workflows for the LSMO laboratory at EPFL
AiiDA>=2.0,<3aiida-muon is allows to find candidate muon implantation sites and hyperfine field by DFT supercell relaxations and from further symmetry and kinetics analysis.
AiiDA>=2.0,<3aiida-impuritysupercellconv is a plugin that allows to obtain converged supercell size for an interstitial impurity calculation.
AiiDA>=2.6,<3.0.0AiiDA plugins and workflows developed at nanotech@surfaces group from Empa.
AiiDA>=2.0,<3NIMS supercomputer scheduler
AiiDA>=1.0.0,<2.0.0AiiDA plugin for ORCA code
AiiDA>=1.6.4,<2.0.0AiiDA plugin for the Psi4 Quantum Chemistry package.
AiiDA>=2.5,<3Algorithms for external optimization of crystal structures
AiiDA>=1.0.0b3,<3.0.0AiiDA plugin for SPEX code
AiiDA>=1.0.0,<2.0AiiDA Plugin for Supercell program
AiiDA>=1.0.0b1AiiDA plugin to interact with the TCOD
AiiDA>=1.1.0,<2.0.0Interface for UppASD and AiiDA
AiiDA>=2.1.2,<=2.2.2The official AiiDA plugin for z2pack