v0.5.1

Change Log for v0.5.1

General

• Moved from setup.py to pyproject.toml
• Updated package to the current glycowork version (~=1.50)
• Updated dependencies for Python 3.12 / numpy 2 compatibility

Model

• Switched to monosaccharide vector input instead of precursor mass for better specificity
• Enhanced compositional model with improved prediction accuracy
• Updated model weights and reference glycans

Prediction

• Added CandyCrumbs scoring for improved glycan annotation quality
• Optimized batch inference and results consolidation
• Added better support for uncertainty in glycan structure predictions
• Added ppm cutoff for better mass error handling
• Added CSV import/export capabilities for MS spectral data

Analysis

• Improved support for positive mode fragmentation
• Upgraded charge state handling for more flexible analysis
• Added support for glycoproteomics MS2 annotation

Tests

• Expanded test suite with multiple experimental setups in test cases