An OWL ontology capturing the concepts needed to describe machine learning interatomic potentials: algorithm families, hyperparameters, training datasets with DFT provenance, and published benchmarks.
- Prefix
mlips- Keywords
- ontology
- License
- CC-BY-4.0
- Links
- Homepage Repository OWL
Identifier Standards
- Pattern for Local Unique Identifiers
- Missing LUI pattern
- Example Local Unique Identifier
- Hyperparameter Resolve
- Example CURIE
- mlips:Hyperparameter
Contacts
- Contact
-
Daniel Hernández
0000-0002-7896-0875
danielhz
- Contributor
-
creator
Charles Tapley Hoyt
0000-0003-4423-4370
cthoyt
Ontology
A summary of the relations in the Semantic Farm schema can be found here.
- In Collection (1)
- Ontologies4Chem 2026
Providers
A provider turns a local unique identifiers from a resource into a URI. Many providers are also resolvable as URLs (i.e., they can be used in a web browser).
The local unique identifier Hyperparameter is used to demonstrate the providers
available for An Ontology for Machine Learning Interatomic Potentials. Some providers may use a different example, which is displayed in the table below.
A guide for curating additional providers can be found
here.
| Provider Name | Provider Code | URI |
|---|---|---|
| An Ontology for Machine Learning Interatomic Potentials | mlips |
https://w3id.org/mlips#Hyperparameter |
| Bioregistry | bioregistry |
https://bioregistry.io/mlips:Hyperparameter |