aiida

The official repository for the AiiDA code

The official AiiDA plugin for Quantum ESPRESSO

A plugin to AiiDA for running simulations with VASP

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

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

LAMMPS plugin for AiiDA

The official AiiDA plugin for Phonopy

Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron

A Jupyter widget to plot bandstructure and density of states.

Implements core functions for AiiDAlab.

AiiDA plugin that makes running shell commands easy.

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

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

AiiDA plugin for Quantum Package 2.0

Docker images with the basic software stack for AiiDAlab

A React component to explore AiiDA provenance

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 the HyperQueue metascheduler.

A pytest plugin to simplify testing of AiiDA plugins.

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