load_external_classes_file

load_external_classes_file(file: str, id_name: None | str = 'class', smarts_name: None | str = 'structure') → DataFrame[source]

Load a Polars DataFrame from an external tsv file with chemical classes.

Parameters:

  • file (str) – The name of the file to load.

  • id_name (str) – The name of the column containing ids.

  • smarts_name (str) – The name of the column containing SMARTS.

Returns:

A Polars DataFrame containing the loaded data.

Return type:

DataFrame