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pyscal / atomRDF

atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).
https://atomrdf.pyscal.org
MIT License
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atomic-simulation atomic-structures computational-materials-science ontology rdm research-data-management

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atomRDF

[!NOTE] atomRDF was previously called pyscal-rdf.

codecov Conda Version PyPI - Python Version DOI

atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).

The package is currently under activate development and could be unstable .

More details coming soon...

Acknowledgements

This work is supported by the NFDI-Matwerk consortia.

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI 38/1 – project number 460247524