ncsw_data.source.compound_pattern.rdkit.utility

The ncsw_data.source.compound_pattern.rdkit.utility package initialization module.

Submodules

Classes

RDKitCompoundPatternDatasetDownloadUtility

The RDKit chemical compound pattern dataset download utility class.

RDKitCompoundPatternDatasetExtractionUtility

RDKitCompoundPatternDatasetFormattingUtility

Package Contents

class ncsw_data.source.compound_pattern.rdkit.utility.RDKitCompoundPatternDatasetDownloadUtility

The RDKit chemical compound pattern dataset download utility class.

static download_v_htl_by_20080307_brenk_r_et_al(output_directory_path: str | os.PathLike[str]) → None

Download the data from the v_htl_by_20080307_brenk_r_et_al version of the dataset.

Parameters:

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

static download_v_pains_by_20100204_baell_j_b_and_holloway_g_a(output_directory_path: str | os.PathLike[str]) → None

Download the data from the v_pains_by_20100204_baell_j_b_and_holloway_g_a version of the dataset.

Parameters:

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

class ncsw_data.source.compound_pattern.rdkit.utility.RDKitCompoundPatternDatasetExtractionUtility

The RDKit chemical compound pattern dataset extraction utility class.

class ncsw_data.source.compound_pattern.rdkit.utility.RDKitCompoundPatternDatasetFormattingUtility

The RDKit chemical compound pattern dataset formatting utility class.

static format_v_htl_by_20080307_brenk_r_et_al(input_directory_path: str | os.PathLike[str], output_directory_path: str | os.PathLike[str]) → None

Format the data from the v_htl_by_20080307_brenk_r_et_al version of the dataset.

Parameters:

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

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

static format_v_pains_by_20100204_baell_j_b_and_holloway_g_a(input_directory_path: str | os.PathLike[str], output_directory_path: str | os.PathLike[str]) → None

Format the data from the v_pains_by_20100204_baell_j_b_and_holloway_g_a version of the dataset.

Parameters:

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

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