v3.0.0b4

Full Changelog: v3.0.0-b3...v3.0.0b4

v3.0.0-b3

Full Changelog: 3.0.0b2...v3.0.0-b3

3.0.0b2

Full Changelog: v3.0.0-b1...3.0.0b2

v3.0.0-b1

What's Changed

• v3 by @RalfG in #84
• Add ionmob feature generator by @RalfG in #95
• Add and update examples (move data to external site, add config files) by @RalfG in #96
• Multiple id input files by @ArthurDeclercq in #97

Full Changelog: v3.0.0-dev4...v3.0.0-b1

v3.0.0-dev4

Full Changelog: v3.0.0-dev3...v3.0.0-dev4

v3.0.0-dev3

Full Changelog: v3.0.0-dev2...v3.0.0-dev3

v3.0.0-dev2

Early development release of v3

v3.0.0-dev1

Early development release of v3

v2.1.3

Bugfixes 🪲

• GUI: Fixed parsing of new-style MaxQuant modification names (#76, backport of #75)

v2.1.2

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())