Metadata-Version: 2.1
Name: atomrdf
Version: 0.4.3
Summary: Ontology based structural manipulation and quering
Home-page: https://pyscal.org
Download-URL: https://github.com/pyscal/atomrdf
Author: Abril Azocar Guzman, Sarath Menon
Author-email: sarath.menon@pyscal.org
Classifier: Programming Language :: Python :: 3
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy
Requires-Dist: ase
Requires-Dist: rdflib
Requires-Dist: pyyaml
Requires-Dist: graphviz
Requires-Dist: networkx
Requires-Dist: pyscal3
Requires-Dist: spglib
Requires-Dist: pandas
Requires-Dist: owlready2

# atomRDF

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


`atomRDF` is a python tool for ontology-based creation, manipulation, and quering of structures. `atomRDF` uses the [Computational Material Sample Ontology (CMSO)](https://github.com/Materials-Data-Science-and-Informatics/cmso-ontology). 

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

More details coming soon...


## Acknowledgements
This work is supported by the [NFDI-Matwerk](https://nfdi-matwerk.de/) consortia.

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

