renaming, refactoring, removing old parts

matchms / ms2deepscore

Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity

Apache License 2.0

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Closed florian-huber closed 5 months ago

florian-huber commented 5 months ago

remove old parts (binning functions, classes, tests)
restructure the two classes SettingsMS2DeepScore and GeneratorSettings
add compute_validation_set() function to later save and re-lead a fixed validation generator.