chainer_chemistry.dataset.parsers.DataFrameParser¶
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class
chainer_chemistry.dataset.parsers.
DataFrameParser
(preprocessor, labels=None, smiles_col='smiles', postprocess_label=None, postprocess_fn=None, logger=None)[source]¶ data frame parser
This FileParser parses pandas dataframe. 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 or None) – labels column
- smiles_col (str) – smiles column
- postprocess_label (Callable) – post processing function if necessary
- postprocess_fn (Callable) – post processing function if necessary
- logger –
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__init__
(preprocessor, labels=None, smiles_col='smiles', postprocess_label=None, postprocess_fn=None, logger=None)[source]¶ Initialize self. See help(type(self)) for accurate signature.
Methods
__init__
(preprocessor[, labels, smiles_col, …])Initialize self. extract_total_num
(df)Extracts total number of data which can be parsed parse
(df[, return_smiles, target_index, …])parse DataFrame using preprocessor