PyHDX

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color transform as yaml

1

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Jhsmit

Initial guesses are slow

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When using weighted averaging And the result is hard to interpret (and shouldnt be) Perhaps t50 interpolation should be used by default (and/or improved) Some testing will be required to...

Jhsmit

fit result output include standard deviation of mse loss

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standard deviation over all peptides

Jhsmit

Force ddG color transform color maps to be divergent by default

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Maybe we should have a 'divergent' checkbox for color transforms This will reduce the number of threshold values from 2 to 1 ensuring symmetric normalize around zero Also perhaps it...

Jhsmit

Add feedback on fitting speed in log output

Jhsmit

Currently, a dask client / cluster connection is needed for fitting. However, it should be possible to not use this but instead do the fitting in a the same thread...

Jhsmit

figure panels need dynamic titles

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coverage: show current exposure time fit quality: show current peptide index

Jhsmit

Allow NaN in batch fitting

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Make the torch.mean calls NaN compatible such that regularizers can be computed without introducing zero padding

Jhsmit

add py310 support

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Jhsmit

It can take long to generate the .zip file The export button should show a loading spinner while its generating it

Jhsmit