emmet.core.featurization.featurizers

Basic schematic of a featurizer.

Adapted from matminer.featurizers.base

Classes

CN_TARGET_MOTIF_OP

dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).

CrystalNNFingerprint

A local order parameter fingerprint for periodic crystals.

FeatureStats

Featurizer

Abstract class to calculate features from structural input data.

SiteStatsFingerprint

Computes statistics of properties across all sites in a structure.

TYPE_CHECKING

bool(x) -> bool