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AiiDA: an automated interactive infrastructure and database for computational science

Project description


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


This metapackage for AiiDA has been deprecated as of v1.0 and is no longer being maintained. If you want to install AiiDA, please install the aiida-core package instead.


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.

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