Dataset

class colabfit.tools.dataset.Dataset(configuration_set_ids, property_ids, name, authors, links, description, aggregated_info)

A dataset defines a group of configuration sets and computed properties, and aggregates information about those configuration sets and properties.

configuration_set_ids

A list of attached configuration sets

Type: list

property_ids

A list of attached properties

Type: list

name

The name of the dataset

Type: str

authors

The names of the authors of the dataset.

Type: list or str or None

links

External links (e.g., journal articles, Git repositories, …) to be associated with the dataset.

Type: list or str or None

description

A human-readable description of the dataset.

Type: str or None

aggregated_info

A dictionary of information that was aggregated rom all of the attached configuration sets and properties. Contains the following information:

From the configuration sets:
nconfigurations nsites nelements chemical_systems elements individual_elements_ratios total_elements_ratios configuration_labels configuration_labels_counts chemical_formula_reduced chemical_formula_anonymous chemical_formula_hill nperiodic_dimensions dimension_types

From the properties:
property_types property_fields methods methods_counts property_labels property_labels_counts

Type: dict

__hash__(): Hashes the dataset using its configuration set and property IDs