lobsterpy.featurize.batch#
This module defines wrapper classes to quickly obtain similarity matrix of input fingerprint objects.
Classes
BatchFeaturizer to generate COHP/COOP/COBI fingerprints and Tanimoto index similarity matrix. |
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BatchFeaturizer to generate Lobster DOS moment features and fingerprints. |
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Batch Featurizer that generates structure graphs with lobster data. |
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Batch Featurizer sets that generates summary features from lobster data. |