Interface Property

A single property in a dataset.

Properties can be physical properties (energy, number of atoms, density, etc.); values associated with the structure (such as SOAP vectors), projected onto a lower dimensionality sub-space (through PCA or any other algorithm); or any other value associated with every structure/environment in the dataset.

Hierarchy

  • Property

Properties

description?: string

user-facing description of the property

target: Target

is this property associated with a full structure or a single atom?

units?: string

unit of the property values

values: string[] | number[]

values of the property

string values should represent classification results (category "A", "B" or "C"); and numeric values should be use for everything else.