by Nathalie Rathgeb | Mar 2, 2026 | Data & Resources, Engineering Sciences, Software, Success Story, Tools
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...
by Nathalie Rathgeb | Mar 2, 2026 | Data & Resources, Engineering Sciences, Software, Success Story, Tools
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...
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