atomRDF is a tool designed for material scientists that enables the creation, manipulation, and querying of atomic structures based on ontologies. Powered by Pyscal3, atomRDF allows for the easy creation of both bulk and defect structures, which are automatically annotated. This makes the structural database easy to query and convert to other file formats.
Furthermore, atomRDF improves not only data quality and traceability, but also the integration of data into automated workflows and AI-driven analyses. By supporting the FAIR principles (findable, accessible, interoperable, and reusable), atomRDF helps researchers to make their data more usable, shareable, and impactful in the context of modern data-centric science.
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