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AiiDA (www.aiida.net) is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.

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Features

Installation

Please see AiiDA's documentation.

How to contribute PRs Welcome GitHub issues by-label

The AiiDA team appreciates help from a wide range of different backgrounds. Small improvements of the documentation or minor bug fixes are always welcome.

Please see the Contributor wiki on how to get started.

Frequently Asked Questions

If you are experiencing problems with your AiiDA installation, please refer to the FAQ page of the documentation. For any other questions, discussion and requests for support, please visit the Discourse server.

How to cite

If you use AiiDA in your research, please consider citing the following publications:

If the ADES concepts are referenced, please also cite:

License

AiiDA is distributed under the MIT open source license (see LICENSE.txt). For a list of other open source components included in AiiDA, see open_source_licenses.txt.

Acknowledgements

AiiDA is a NumFOCUS Affiliated Project and supported by the MARVEL National Centre of Competence in Research, the MaX European Centre of Excellence and by a number of other supporting projects, partners and institutions, whose complete list is available on the AiiDA website acknowledgements page.