Atomistic Ontology (Atomistic)¶
The Atomistic Ontology is an EMMO-based domain ontology for representing concepts related to atomistic and electronic modelling [1] [2]. It provides a structured semantic vocabulary for describing modelling concepts and linking them to the broader EMMO ecosystem [1] [2]. The ontology supports consistent representation and semantic annotation of atomistic and electronic modelling information, facilitating interoperability and reuse across materials modelling applications [1] [2].
The ontology is intended to support the description of computational modelling concepts used in atomistic and electronic simulations and to provide a common semantic basis for exchanging modelling knowledge [1] [2]. It is currently described as a work in progress and remains under active development [1].
Example Usage: Annotate a computational materials science dataset with Atomistic Ontology terms to describe atomistic or electronic modelling concepts and connect them with related EMMO-based vocabularies, enabling more consistent semantic integration and reuse of modelling data [1] [2].
Metrics & Statistics¶
Total Nodes |
93 |
Total Edges |
107 |
Root Nodes |
11 |
Leaf Nodes |
70 |
Classes |
12 |
Individuals |
0 |
Properties |
2 |
Maximum Depth |
6 |
Minimum Depth |
0 |
Average Depth |
1.80 |
Depth Variance |
2.27 |
Maximum Breadth |
44 |
Minimum Breadth |
3 |
Average Breadth |
13.29 |
Breadth Variance |
182.78 |
Term Types |
0 |
Taxonomic Relations |
0 |
Non-taxonomic Relations |
0 |
Average Terms per Type |
0.00 |
Usage Example¶
Use the following code to import this ontology programmatically:
from ontolearner.ontology import Atomistic
ontology = Atomistic()
ontology.load("path/to/Atomistic-ontology.ttl")
# Extract datasets
data = ontology.extract()
# Access specific relations
term_types = data.term_typings
taxonomic_relations = data.type_taxonomies
non_taxonomic_relations = data.type_non_taxonomic_relations