Improvements 🚀
- MS²Rescore now runs on Windows!
- Graphical user interface (GUI) added, built with Gooey
Install with pip install ms2rescore[gui] and run python -m ms2rescore.gui
- Install, upgrade, and run scripts added for Windows users without an existing Python installation who simply want to use the new GUI
- MS²Rescore can now output a PDF with useful plots displaying the results.
Refactoring and minor changes 🔧
- ⚠️Breaking change: MS²Rescore is now written with a lowercase S (instead of "MS²ReScore). This means that some class names and exceptions have been renamed accordingly, breaking the Python API with previous versions.
- ⚠️Breaking change: The
feature_sets option now expects instead of a string with a predefined feature set, such as ms2pip_rt, a list of strings including one of the following: searchengine, rt, or ms2pip. By default, MS²Rescore uses all features: ['searchengine', 'rt', 'ms2pip'].
- MS²PIP is now imported and called through the Python API instead of the CLI
Includes PRs #34 and #37.
