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matchms / ms2deepscore

Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
Apache License 2.0
48 stars 22 forks source link

Clean up data generators #134

Closed niekdejonge closed 1 year ago

niekdejonge commented 1 year ago

PR to clean the code for data generators. I plan to add new data generators for instance to balance ionisation mode input. Before doing that I am going through the code to make sure I understand all parts. During that process I changed things that could be clearer by some refactoring.

@florian-huber let me know what you think.

florian-huber commented 1 year ago

Thanks a lot @niekdejonge. I added a change regarding the random seed on top. Hope that is in your interest as well.