AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
The official AiiDA plugin for Quantum ESPRESSO
AiiDA plugin that simplifies working with pseudo potentials
AiiDA plugin for the Standard Solid State Pseudopotential (SSSP) library
A python workflow library
The official AiiDA plugin for NWChem
AiiDA package with utilities and interfaces for common workflows.
A set of useful tools to manage Quantum ESPRESSO files
Connect to an existing PostgreSQL cluster as a postgres superuser and execute SQL commands.
Robust, high-volume, message based communication made easy
AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
The official AiiDA plugin for cod-tools
Export archives for migration tests for AiiDA
AiiDA: an automated interactive infrastructure and database for computational science
The official AiiDA plugin for ASE