This is a minor release of ViMMS, bringing various enhancements and additions:
馃搶 New Features for Proteomics Support:
- Enhanced Scan Time Estimation: Improved estimations derived from actual experimental data.
- Isotope & Charge State Deconvolution: Initial support via ms_deisotope.
- Optuna Integration: Preliminary codes to optimize controller parameters using Optuna.
- OpenMS Peak Picking: Support added for box evaluation.
馃洜 Improvements for Project Maintainability:
- Poetry Integration: Now using Poetry for dependency management and package building. Note: The Pipenv configuration file remains but will not be updated in future releases.
- Documentation Enhancements: Better documentation, including improvements to the Jekyll-based website.
- Matching Controller: Additional codes to support the controller, which is currently under development.
Thank you for using ViMMS and your continued support!