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wilhelm-lab / koina

Democratizing ML in proteomics
https://koina.wilhelmlab.org/
Apache License 2.0
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Wrong predicted spectra for modified peptides #64

Closed KaiLiCn closed 7 months ago

KaiLiCn commented 9 months ago

Hi there,

When I tried the example on the Koina server, I found the return m/z values were wrong for modified peptides. Here is one example from the AlphaPept_ms2_generic model. There is a [UNIMOD:35] on the last M. However, the return m/z value of y1+1 is still 150.05831909179688 without modification mass.

Can you take a look? image

progistar commented 8 months ago

I found that the same error occurred on Cys+57.021.

LLautenbacher commented 7 months ago

This seems to be solved in the newest version.