chainer_chemistry.dataset.parsers.CSVFileParser

class chainer_chemistry.dataset.parsers.CSVFileParser(preprocessor, labels=None, smiles_col='smiles', postprocess_label=None, postprocess_fn=None, logger=None)

csv file parser

This FileParser parses .csv file. It should contain column which contain SMILES as input, and label column which is the target to predict.

Parameters:

• preprocessor (BasePreprocessor) – preprocessor instance
• labels (str or list) – labels column
• smiles_col (str) – smiles column
• postprocess_label (Callable) – post processing function if necessary
• postprocess_fn (Callable) – post processing function if necessary
• logger –

__init__(preprocessor, labels=None, smiles_col='smiles', postprocess_label=None, postprocess_fn=None, logger=None)

Initialize self. See help(type(self)) for accurate signature.

Methods

__init__(preprocessor[, labels, smiles_col, …])	Initialize self.
extract_total_num(filepath)	Extracts total number of data which can be parsed
parse(filepath[, return_smiles, …])	parse csv file using preprocessor