The official repository for the AiiDA code

The official AiiDA plugin for Quantum ESPRESSO

A repository for the implementation of common workflow interfaces across materials-science codes and plugins

A plugin to AiiDA for running simulations with VASP

LAMMPS plugin for AiiDA

Phonon for AiiDA

Implements core functions for AiiDAlab.

AiiDA plugin that makes running shell commands easy.

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.

A Jupyter widget to plot bandstructure and density of states.

AiiDA plugin for Quantum Package 2.0

Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.

Docker images with the basic software stack for AiiDAlab

A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.

Interface with AiiDA to automate CASTEP calculations and preserve their provenance.

A pytest plugin to simplify testing of AiiDA plugins.

Tutorial for installing AiiDA

AiiDA enhancement proposals

Tools for simplifying daily work with the AiiDA workflow engine