Published September 21, 2024 | Version 0.9.17
Software Open

atomRDF, python tool for ontology-based creation, manipulation, and quering of atomic structures.

Creators

  • 1. Max-Planck-Institut für Eisenforschung GmbH
  • 2. Institute for Advanced Simulations – Materials Data Science and Informatics (IAS-9), Forschungszentrum Jülich GmbH

Description

What's Changed

  • Add repetitions for readin by @srmnitc in https://github.com/pyscal/atomRDF/pull/165
  • replace triples by @srmnitc in https://github.com/pyscal/atomRDF/pull/166
  • Update sample by @srmnitc in https://github.com/pyscal/atomRDF/pull/167

Full Changelog: https://github.com/pyscal/atomRDF/compare/0.9.14...0.9.17

Notes

If you use this software, please cite it using the metadata from this file. Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI 38/1 – project number 460247524

Files

pyscal/atomRDF-0.9.17.zip

Files (9.3 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/pyscal/atomRDF/tree/0.9.17 (URL)