Plugin registry

AiiDA plugin for running and parsing Octopus calculations

The official AiiDA plugin for Phonopy

Advanced AiiDA workflows for Wannier90

The official AiiDA plugin for Quantum ESPRESSO

AiiDA plugin for vibrational spectoscopy using Quantum ESPRESSO.

AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.

AiiDA workflow plugin for the ChemShell chemical modelling software package

AiiDA plugin that wraps amber molecular dynamics executables

A plugin for using GROMACS with AiiDA for molecular dymanics simulations.

Run Python functions on a remote computer.

AiiDA Transport/Scheduler plugins for interfacing with FirecREST.

AiiDA plugin that makes running shell commands easy.

AiiDA plugin for the first-principles calculation of Hubbard parameters.

AiiDA plugin for running VASP calculations and workflows.

Machine learning interatomic potentials AiiDA plugin

A plugin to interface AIMAll with AiiDA

AiiDA plugin that simplifies working with pseudo potentials.

AiiDA Plugin to run simulations with the ICON weather & climate model

AiiDA plugin for the Supercell K-space Extremal Area Finder (SKEAF) code

AiiDA plugin provides the GroupPathX class

AiiDA data plugin for pandas DataFrame objects

Yet another computing scheduler and cloud orchestration engine

Collections of node-based workflow created using aiida-workgraph.

The official AiiDA plugin for CP2K.

AiiDA plugin for the JuKKR codes

The official AiiDA plugin for INQ.

AiiDA plugin for the Gaussian quantum chemistry software.

AiiDA Plugin for the Wannier90 code

Translation layer for AiiDA-PyBigDFT

AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF).

AiiDA Python

The AiiDA plugin for ABINIT.

The official AiiDA plugin for ASE.

AiiDA plugin for RASPA code

AiiDA plugin for zeo++

The official AiiDA plugin for NWChem

AiiDA plugin for the spirit code

AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workchains and utilities

AiiDA Plugin for running optimization algorithms.

AiiDA-Defects is a plugin for the AiiDA computational materials science framework, and provides tools and automated workflows for the study of defects in materials.

The Official AiiDA plugin for the cod-tools package.

AiiDA data plugin to manage gaussian datatypes (basis sets and pseudopotentials) as first-class citizens

Collection of AiiDA WorkChains Developed in Morgan Group

A plugin for Siesta's basic functionality within the AiiDA framework.

Plugin to combine Wannier90 interpolations with GW corrections computed by Yambo

AiiDA 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

YAMBO plugin and workflows for AiiDA

AiiDA 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 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.

AiiDA plugin for running the GULP MD code

Strawberry-based GraphQL API Server for AiiDA

AiiDA plugin providing support for Plumed2

AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).

AiiDA plugin for the [GUDHI](http://gudhi.gforge.inria.fr/) library for topological data analysis.

AiiDA plugin for persistence homology tools, used to analyze nanoporous materials.

Car-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 plugin for ABACUS

AiiDA plugin to construct machine-learning potentials using aenet

Aiida Workflows for Elastic Constants using Quantum Espresso

AiiDA AutoCAS Plugin

AiiDA package that interfaces with Kinetic modelling code CatMAP

AiiDA plugin for running cluster expansion using icet.

Yet another AiiDA plugin for CRYSTAL code, mainly intended for use with the MPDS online ecosystem

Custodian based VASP Plugin for AiiDA

AiiDA plugin for DDEC code

AiiDA plugin for DFTK

AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.

AiiDA calculation plugin for doing nothing

AiiDA plugin for Environ

AiiDA plugin for FANS, an FFT-based homogenization solver.

AiiDA plugin for the FEniCS computing platform for solving partial differential equations.

An AiiDA plugin for FHI-aims code

AiiDA plugin to allow using `fireworks` as the execution engine for `CalcJob`.

AiiDA plugin for the FLEXPART code (simulation of atmospheric transport processes).

A plugin for Gollum functionality within AiiDA framework.

AiiDA workflows for the LSMO laboratory at EPFL

aiida-muon is allows to find candidate muon implantation sites and hyperfine field by DFT supercell relaxations and from further symmetry and kinetics analysis.

aiida-impuritysupercellconv is a plugin that allows to obtain converged supercell size for an interstitial impurity calculation.

AiiDA plugins and workflows developed at nanotech@surfaces group from Empa.

NIMS supercomputer scheduler

AiiDA plugin for ORCA code

AiiDA plugin for the Psi4 Quantum Chemistry package.

Algorithms for external optimization of crystal structures

AiiDA plugin for SPEX code

AiiDA Plugin for Supercell program

AiiDA plugin to interact with the TCOD

Interface for UppASD and AiiDA

The official AiiDA plugin for z2pack