patrick-willems comments

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                                            patrick-willems

simtk.openmm.OpenMMException: Particle coordinate is nan

Hi, I encountered a similar issue with the latest version 2.2.2: ``` Total JAX model model_1_multimer_v2_pred_0 on tetramer predict time (includes compilation time, see --benchmark): 91712.4s Traceback (most recent call...

mzML quant error : Index was outside the bounds of the array.

Thanks for the fast reply. It is a mzML that is automatically generated by MSFragger during a timsTOF .d search. I saw that there was some support for Bruker data,...

mzML quant error : Index was outside the bounds of the array.

> You can reach me here: [[email protected]](mailto:[email protected]) Ok thanks! Uploading now.

mzML quant error : Index was outside the bounds of the array.

Sorry to come back to this. Is there are any solution? I have also been trying to use the raw .d Bruker directories, but I get "Error: No spectra files...

mzML quant error : Index was outside the bounds of the array.

Thank you for the help! Sorry, I should have noticed this in the first place, I will try some other mzML conversion. Alternatively, how can I make FlashLFQ read the...

Memory consumption for extremely large search spaces

Hey, just a question related to this issue. Could it be that by sorting on the hyperscore and only retaining the best match you might lose hits (also not compatible...