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Update SpectrumDocument.py #93

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@niekdejonge niekdejonge commented Aug 6, 2024

Updates necessary to make matchm 0.27.0 compatible. This removed add_losses. Spec2vec does not directly use this (except for in tutorials). However, the loss_mz_from and loss_mz_to settings could not be set anymore. This PR fixes that.

In addition:

  • Sets version of python to 3.9 (since requirement of matchms)
  • Sets version of matchms to 0.27.0, since compute losses was not available before.

I think this makes everything compatible with the newest version of matchms again.
Still some tests failing, but I think it has nothing to do with the changes here, did you fix something similar for MS2Deepscore before @florian-huber?

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