Description
The NIST Interatomic Potentials Repository project has developed Python APIs to support user interactions with the repository data hosted at https://potentials.nist.gov. The associated code is layered, starting with generic methods for JSON/XML-based data and databases, and building up to user-friendly interfaces specific to the repository. This design allows for basic users to easily explore the data and expert users to perform more complicated operations or create custom APIs for other databases. The repository APIs help users find and compare interatomic models, set up simulations, perform high throughput calculations, and access the high throughput results.