lobsterpy.featurize.batch

This module defines wrapper classes to quickly obtain similarity matrix of input fingerprint objects.

Classes

BatchCoxxFingerprint	BatchFeaturizer to generate COHP/COOP/COBI fingerprints and Tanimoto index similarity matrix.
BatchDosFeaturizer	BatchFeaturizer to generate Lobster DOS moment features and fingerprints.
BatchIcoxxlistFeaturizer	BatchFeaturizer to generate BWDF-derived features from ICOXXLIST.lobster data.
BatchStructureGraphs	Batch Featurizer that generates structure graphs with lobster data.
BatchSummaryFeaturizer	Batch Featurizer sets that generates summary features from lobster data.