ncsw_data.source.compound.zinc.utility.extraction

The ncsw_data.source.compound.zinc.utility package extraction module.

Classes

ZINCCompoundDatabaseExtractionUtility

The ZINC chemical compound database extraction utility class.

Module Contents

class ncsw_data.source.compound.zinc.utility.extraction.ZINCCompoundDatabaseExtractionUtility

The ZINC chemical compound database extraction utility class.

static extract_v_building_block(version: str, input_directory_path: str | os.PathLike[str], output_directory_path: str | os.PathLike[str]) → None

Extract the data from a v_building_block_* version of the database.

Parameters:

• version – The version of the database.

• input_directory_path – The path to the input directory where the data is downloaded.

• output_directory_path – The path to the output directory where the data should be extracted.