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Author:
Abril Azocar Guzman, Sarath Menon
Summary:
Ontology-based creation, manipulation and querying of atomic-scale structures and simulation workflows, with Pydantic data models generated from the OCDO Conceptual Dictionary (CMSO, CDCO, PODO, PLDO, LDO, ASMO).
Latest version:
0.12.3
Required dependencies:
ase
|
graphviz
|
mendeleev
|
numpy
|
pandas
|
pydantic
|
pyscal3
|
pyyaml
|
rdflib
|
spglib
|
tools4rdf
Optional dependencies:
aimsgb
|
atomman
|
mp-api
|
oxrdflib
|
pymatgen
|
rdflib-sqlalchemy
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