chemicalchecker.core.signature_data

Signature data.

This class handles the HDF5 file internal organization. It offers shortcut attributes to read from file (e.g. sign.keys or accessing signature with brackets [:] operator). It expose utility methods to fetch, stack, copy check for consistency, index, subsample or map signatures.

Classes

DataSignature

DataSignature class.

RandomBatchSampler

Sampling class to create random sequential batches of a dataset.