Automated Interactive Infrastructure and Database for Computational Science

AiiDA is a flexible and scalable informatics' infrastructure to manage, preserve, and disseminate the simulations, data, and workflows of modern-day computational science. Able to store the full provenance of each object, and based on a tailored database built for efficient data mining of heterogeneous results, AiiDA gives the user the ability to interact seamlessly with any number of remote HPC resources and codes, thanks to its flexible plugin interface and workflow engine for the automation of complex sequences of simulations.

Journal ref: G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, and B. Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci. 111, 218-230 (2016)

Open access link: arXiv:1504.0116


How to get the code

The core of the AiiDA engine (“aiida_core”) is released under an open-source MIT license.

Most recent released version

The latest version v0.9.0 was released on 15-Jun-2017 (Release notes).

  • You can obtain it from the GIT repository from GitHub.
  • You can directly download the compressed zip file from here.

If you are upgrading from a previous version and you don’t want to reinstall everything from scratch, please, read these instructions.

Additional plugins

A number of features and plugins are provides as external packages.

A summary of the plugins (some of them maintained by the AiiDA team, others by external contributors) can be found at this page.

The plugins that were part of AiiDA EPFL (aiida_epfl) are now included to the aiida_core.

Older versions

  • AiiDA (aiida_core)  v0.8.1, released on 24-Apr-2017.
  • AiiDA (aiida_core)  v0.7.1, released on 29-Sep-2016.
  • AiiDA (aiida_core)  v0.7.0, released on 10-Aug-2016.
  • AiiDA (aiida_core) v0.5.0, released on 17-Dec-2015.
  • AiiDA (aiida_core) v0.4.1, released on 8-Apr-2015.
  • AiiDA (aiida_core) v0.4.0, released on 27-Feb-2015

Note on the license of aiida_core

MIT License
The MIT License (also called Expat) is an open source license that essentially grants you the right of dealing in the software without restrictions, subject to the condition that the original copyright notice and the name of the copyright holder is included in derivatives of the software. It is very similar to the BSD Licenses, the main differences being that the MIT License explicitly describes the usage permissions and does not limit the use of the copyright holder name.