chainer_chemistry.dataset.parsers.SDFFileParser¶
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class
chainer_chemistry.dataset.parsers.
SDFFileParser
(preprocessor, labels=None, postprocess_label=None, postprocess_fn=None, logger=None)[source]¶ sdf file parser
Parameters: - preprocessor (BasePreprocessor) – preprocessor instance
- labels (str or list) – labels 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, postprocess_label=None, postprocess_fn=None, logger=None)[source]¶ Initialize self. See help(type(self)) for accurate signature.
Methods
__init__
(preprocessor[, labels, …])Initialize self. extract_total_num
(filepath)Extracts total number of data which can be parsed parse
(filepath[, return_smiles, …])parse sdf file using preprocessor