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Improvements 🚀
Additional PEAKS search engine features
Bugfixes 🪲
Changed peptideshaker name in the
Fix the mgf title field extraction to be compatible with PEAKS XPro output (fixes #44)
Removed shell=True option from Percolator command (fixes #55)
MS²Rescore now returns an error if an error occured while running Percolator (added check=True to subprocess.run)
Deprecation warning "passing set as indexer" fix
Python 3.9 compatibility for GUI
Refactoring and minor changes 🔧
Ignore Deprecation-/Future-/UserWarnings in GUI mode (fixes #61)
Cleanup imports and remove importlib_resources backport (Python 3.6 compatibility not needed anymore)
Set Gooey target to allow gui startup from ms2rescore-gui entrypoint and add ms2rescore-gui entrypoint (GUI can now be started from the terminal with both python -m ms2rescore.gui and ms2rescore-gui).
Relax scikit-learn dependency to <2 (v1.0.0 now released)
Fix UserWarning in percolator.py (unused groups in regex for Pandas str.match())
