A set of useful tools to manage Quantum ESPRESSO files.
Package that defines common interfaces for workflows that are implemented in AiiDA for various quantum engines.
AiiDA plugin that simplifies working with pseudo potentials.
The official AiiDA plugin for NWChem
AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF).
The official AiiDA plugin for Quantum ESPRESSO
Connect to an existing PostgreSQL cluster as a postgres superuser and execute SQL commands.
A Python workflow library.
AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
AiiDA plugin that makes running shell commands easy.
The official AiiDA plugin for ASE.
AiiDA plugin that provides a storage backend using an S3 object store as the file repository.
The AiiDA plugin for ABINIT.
The Official AiiDA plugin for the cod-tools package.
Robust, high-volume, message based communication made easy.
Circus is a program that will let you run and watch multiple processes and sockets.
AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
A Django application to provide a bibliography based on a bibtex library.
AiiDA: an automated interactive infrastructure and database for computational science
AiiDA plugin for the Standard Solid State Pseudopotential (SSSP) library
Export archives for migration tests for AiiDA