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compomics / DeepLC

DeepLC: Retention time prediction for (modified) peptides using Deep Learning.
https://iomics.ugent.be/deeplc
Apache License 2.0
52 stars 18 forks source link

deeplc gui #57

Closed HR-RH closed 1 year ago

HR-RH commented 1 year ago

Hello，When using version 2.2.3 of deeplc gui, the following problems occurred:

Traceback (most recent call last): File "deeplc\gui.py", line 38, in start_gui() File "gooey\python_bindings\gooey_decorator.py", line 134, in return lambda *args, *kwargs: func(args, kwargs) File "deeplc\gui.py", line 35, in start_gui main(gui=True) File "deeplc__main__.py", line 70, in main run(vars(argu)) File "deeplc__main__.py", line 181, in run if len(psm_list_cal) > 0: UnboundLocalError: local variable 'psm_list_cal' referenced before assignment

And the input file I used is examples/datasets/seqs_exp.csv of the deeplc source code.

RobbinBouwmeester commented 1 year ago

Dear HR-RH,

This should be fixed in version 2.2.4 of the GUI. Could you let me know if it now works?

Thank you!

Robbin

HR-RH commented 1 year ago

Thank you for your answer. I will try again. But now I have one more question. If I want to use your source code to retrain a data set, is it ok? If so, what should I do?

RobbinBouwmeester commented 1 year ago

Hi,

It is actually best if you use https://github.com/RobbinBouwmeester/DeepLCRetrainer for that, but this option is not yet available in the GUI.

If you are willing to do some coding I can help you in using deeplcretrainer, also see: https://proteomicsml.org/tutorials/retentiontime/deeplc-transfer-learning.html

RobbinBouwmeester commented 1 year ago

I will close this issue for now, you can reopen it if you need further help.