Deepak Cherian (Jul 06 2021 at 18:50): Deepak Cherian (Jul 06 2021 at 18:50):https://www.aiida.net/; https://github.com/aiidateam/aiida-core
Looks interesting from a quick scan:
AiiDA is an open-source Python infrastructure to help researchers with automating, managing, persisting, sharing and reproducing the complex workflows associated with modern computational science and all associated data.
It has some institutional support:
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.
Last updated: May 16 2025 at 17:14 UTC