Greetings! Happy new year:) Thank you so so much for your support!
I am running ms2rescore v3.2.0-post 1 on msamanda csv file. DeepLC works fine. It's just
ms2rescore.feature_generators.im2deep // Running IM2Deep for PSMs from run (1/1): `None`...
ms2rescore.__main__ // loop of ufunc does not support argument 0 of type float which has no callable sqrt method
AttributeError: 'float' object has no attribute 'sqrt'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "some_path/python3.10/site-packages/ms2rescore/__main__.py", line 254, in main
rescore(configuration=config)
File some_path/python3.10/site-packages/ms2rescore/core.py", line 94, in rescore
fgen.add_features(psm_list)
File "some_path/python3.10/site-packages/ms2rescore/feature_generators/im2deep.py", line 108, in add_features
psm_list_run_df["ccs_observed"] = im2ccs(
File "some_path/python3.10/site-packages/im2deep/utils.py", line 102, in im2ccs
return (SUMMARY_CONSTANT * charge) / (np.sqrt(reduced_mass * (temp + t_diff)) * 1 / reverse_im)
File "some_path/python3.10/site-packages/pandas/core/generic.py", line 2113, in __array_ufunc__
return arraylike.array_ufunc(self, ufunc, method, *inputs, **kwargs)
File "some_path/lib/python3.10/site-packages/pandas/core/arraylike.py", line 402, in array_ufunc
result = getattr(ufunc, method)(*inputs, **kwargs)
TypeError: loop of ufunc does not support argument 0 of type float which has no callable sqrt method
It seems to be a compatibility problem between numpy 1.26.0 and pandas 2.3.3 in the ms2rescore environment. When trying to resolve this issue, there are more problems surfacing regarding sqlalchemy version which I know you have resolved in ms2pip == 4.1.1. Would you mind adding the pypi deployment of the latest version to more conveniently resolve these incompatibilities, if this is the way to go? Thank you so much!
Greetings! Happy new year:) Thank you so so much for your support!
I am running
ms2rescore v3.2.0-post 1onmsamanda csvfile. DeepLC works fine. It's justIt seems to be a compatibility problem between numpy 1.26.0 and pandas 2.3.3 in the
ms2rescoreenvironment. When trying to resolve this issue, there are more problems surfacing regardingsqlalchemyversion which I know you have resolved inms2pip == 4.1.1. Would you mind adding thepypideployment of the latest version to more conveniently resolve these incompatibilities, if this is the way to go? Thank you so much!