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atomate2

workflowmaterials-projectdftautomationopen-source-code
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Computational materials science workflow library for running reproducible atomistic and electronic-structure workflows.

Citation: materialsproject/atomate2. Open-source code repository. https://github.com/materialsproject/atomate2

Acknowledgement: Curated by MaterialsAtlas Open Resources from public project metadata and maintainer repositories.

TypeCode
DomainMaterials workflows
LicenseNOASSERTION
Contributorsmaterialsproject