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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

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Open florian-huber opened 4 months ago

florian-huber commented 4 months ago

So far only a simply writer for use with Tensorboard.

tracks loss and rmse for train and val set
could be expanded: e.g. by adding writer.add_graph to also track the model architecture