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.
More information:
Other posts
Posts
Less Login, More Research: IAM4NFDI Improves Access to Coscine in NFDI4ING (Base4NFDI)
In two incubator projects, access to the research data management platform Coscine was made easier, more secure, and better connected across the NFDI landscape with the help of IAM4NFDI. The goal was to simplify user login processes and the management of access...
NFDI4Culture’s Legal Helpdesk answers legal question in research data management
A competent contact point: The Legal Helpdesk by NFDI4Culture answers questions regarding copyright and data protection“What do the changes in copyright law mean for our digital collections?”, “What should we bear in mind for valid consent to data processing?“ As part...
Automated pyiron workflows accelerate the development of machine learning potentials in materials science (NFDI-MatWerk)
The implementation of pyiron-based automated workflows fundamentally improves the creation of machine learning interatomic potentials (MLPs) in materials science. This comprehensive and user-friendly framework, built upon the pyiron integrated development environment...
Recent Comments