lobsterpy.featurize.core

This module defines classes to featurize Lobster data ready to be used for ML studies.

Classes

CoxxFingerprint	Represents a Coxx fingerprint.
DosFingerprint	Represents a Density of States (DOS) fingerprint.
FeaturizeCOXX	Class to featurize COHPCAR, COBICAR or COOPCAR data.
FeaturizeCharges	Class to compute ionicity from CHARGE.lobster data.
FeaturizeDoscar	Class to compute DOS moments and fingerprints from DOSCAR.lobster / DOSCAR.LSO.lobster.
FeaturizeLobsterpy	Class to featurize lobsterpy data.