ChEB-AI / python-chebai

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ChEBI datasets are missing raw data #59

Closed sfluegel05 closed 2 weeks ago

sfluegel05 commented 1 month ago

Problem

When introducing the _DynamicDataset in #39, we changed the meaning of raw files. Previously, the labeled train.pkl, validation.pkl and test.pkl file names were returned by raw_file_names_dict() and raw_file_names(). Now, the GO class has a raw_file_names_dict() method that only the direct downloads (e.g., for GO, the go-basic.obo and uniprot_sprot.dat). It overwrites the method in _DynamicDataset which returns data.pkl. raw_file_names() is missing completely.

Solution