Niek de Jonge

Yes, removing Pytorch won't really help and using the sparse mode is very helpfull, since I think most people that require these kinds of speeds will run into the same...

Yes I agree. The minimal, basic, default are a bit arbitrary names. I have already made quite some changes in filter order, but have mainly focused on finalizing the fully...

Adding a warning would make sense to me as well

If we add this, the load_from_mgf() function should also return an empty list if an empty file is given (this should reduce the risk for errors)

Hmm, I now notice that the example I gave here is just not valid. (the N+ should be [N+]). And when trying again I did not get the valence error,...

If you would reuse a yaml file created by someone else (e.g. published with a paper). I think It would be useful to see the version in which this workflow...

@hechth I think the documentation issue in #611

@hechth and @wverastegui I added the option to only keep spectra if they are within a specified rt window. Would you agree with this addition? Otherwise I will revert the...

I agree, I will merge it now, thanks @hechth

Also code like in add_parent_mass (and many other filtering functions): logger = logging.getLogger("matchms") _default_key = "parent_mass" _accepted_keys = ["parentmass", "exact_mass"] _accepted_types = (float, str, int) _accepted_missing_entries = ["", "N/A", "NA",...