Ralf Gabriels

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So in a fresh Python 3.11.8 environment: This works without issues: ``` pip install pyopenms==3.2.0 pandas==2.2.3 python -c "import pandas; import pyopenms" ``` And this returns the import error: ```...

I could reduce the failing import to: ``` python -c "import pyarrow.lib as _lib; import pyopenms" ``` `pyarrow.lib` is Cython-compiled, so it gets trickier for me to dig deeper. Hopefully...

With the following environment: ``` contourpy==1.3.0 cycler==0.12.1 dlltracer==1.0.2 fonttools==4.54.1 kiwisolver==1.4.7 matplotlib==3.9.2 numpy==1.26.4 packaging==24.1 pandas==2.2.3 pillow==10.4.0 pyarrow==17.0.0 pyopenms==3.2.0 pyparsing==3.1.4 python-dateutil==2.9.0.post0 pytz==2024.2 six==1.16.0 tzdata==2024.2 ``` `dlltracer` output when importing pyopenms only (no...

Perhaps it is in fact an NumPy issue? I noticed that between the two builds (May 7 and June 21) NumPy 2 was released as stable on June 16. Additionally,...

The issue seems to have been fixed with version `pyopenms-3.3.0.dev20241125`. It was still present in `pyopenms-3.3.0.dev20241120`. Fixed by https://github.com/OpenMS/OpenMS/pull/7699 perhaps? When the wheels get published for 3.3.0 (#7826), I think...

Hi Li, Apologies for the delayed response. Do you still have the error that DIA-NN produced when importing the MSP library? We have tested MSP files specifically for DIA-NN, but...

Hi @jhgirald, First and foremost: Thank you so much for your efforts in making this four-part tutorial series, and for making it available through ProteomicsML! The build-up from simple single-feature...

Hi Lev! Because the MaxQuant modification labels used to be very non-specific (like the `ox` example), we opted to take over the labels as-is to the ProForma string. While this...

As far as I see, the `Modifications` column does not provide more info beyond what's in the modified peptide? I think the best option would be to automatically apply a...