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

The official repository for the AiiDA code

The official AiiDA plugin for Quantum ESPRESSO

A plugin to AiiDA for running simulations with VASP

Docker images with the basic software stack for AiiDAlab

Implements core functions for AiiDAlab.

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

Tools for simplifying daily work with the AiiDA workflow engine

AiiDA plugin that makes running shell commands easy.

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

AiiDA plugin for Bader charge analysis

A Jupyter widget to plot bandstructure and density of states.

Phonon for AiiDA

AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University

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

AiiDA plugin for Quantum Package 2.0