lobsterpy.featurize.core

lobsterpy.featurize.core#

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

Classes

`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.
`FeaturizeIcoxxlist`	Class to Featurize ICOXXLIST.lobster as Bond weighted distribution function (BWDF).
`FeaturizeLobsterpy`	Class to featurize lobsterpy data.