MaterialsAtlas Software and Tool
AiiDA
workflowprovenancereproducibilityautomationsoftware-toolsmaterials-science-software
Workflow automation and provenance platform for reproducible computational science, including plugins for electronic-structure, atomistic, and materials workflows.
Citation: AiiDA. Materials science software/tool. https://www.aiida.net/
Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, community usage, and common computational/experimental materials workflows.