|
|
Atomistic Simulation Methods Ontology (ASMO) |
|
|
======================================================================================================================== |
|
|
|
|
|
Overview |
|
|
-------- |
|
|
ASMO is an ontology that aims to define the concepts needed to describe commonly |
|
|
used atomic scale simulation methods, i.e. density functional theory, molecular dynamics, |
|
|
Monte Carlo methods, etc. ASMO uses the Provenance Ontology (PROV-O) to describe the simulation process. |
|
|
|
|
|
:Domain: Materials Science and Engineering |
|
|
:Category: Materials Science |
|
|
:Current Version: 1.0.0 |
|
|
:Last Updated: None |
|
|
:Creator: https://orcid.org/0000-0001-7564-7990 |
|
|
:License: Creative Commons Attribution 4.0 International (CC BY 4.0) |
|
|
:Format: OWL |
|
|
:Download: `Atomistic Simulation Methods Ontology (ASMO) Homepage <https://github.com/OCDO/asmo?tab=readme-ov-file#atomistic-simulation-methods-ontology-asmo>`_ |
|
|
|
|
|
Graph Metrics |
|
|
------------- |
|
|
- **Total Nodes**: 588 |
|
|
- **Total Edges**: 1058 |
|
|
- **Root Nodes**: 23 |
|
|
- **Leaf Nodes**: 360 |
|
|
|
|
|
Knowledge coverage |
|
|
------------------ |
|
|
- Classes: 99 |
|
|
- Individuals: 30 |
|
|
- Properties: 41 |
|
|
|
|
|
Hierarchical metrics |
|
|
-------------------- |
|
|
- **Maximum Depth**: 5 |
|
|
- **Minimum Depth**: 0 |
|
|
- **Average Depth**: 1.71 |
|
|
- **Depth Variance**: 1.87 |
|
|
|
|
|
Breadth metrics |
|
|
------------------ |
|
|
- **Maximum Breadth**: 27 |
|
|
- **Minimum Breadth**: 3 |
|
|
- **Average Breadth**: 15.17 |
|
|
- **Breadth Variance**: 70.14 |
|
|
|
|
|
Dataset Statistics |
|
|
------------------ |
|
|
Generated Benchmarks: |
|
|
- **Term Types**: 30 |
|
|
- **Taxonomic Relations**: 99 |
|
|
- **Non-taxonomic Relations**: 2 |
|
|
- **Average Terms per Type**: 3.75 |
|
|
|
|
|
Usage Example |
|
|
------------- |
|
|
.. code-block:: python |
|
|
|
|
|
from ontolearner.ontology import ASMO |
|
|
|
|
|
# Initialize and load ontology |
|
|
ontology = ASMO() |
|
|
ontology.load("path/to/ontology.OWL") |
|
|
|
|
|
# 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 |
|
|
|
