v0.4.0

Added

• PSM rescoring using semi-supervised learning.
• Read input query spectra from mzML and mzXML files.
• Read input library spectra from sptxt and MGF files.
• Generate decoy spectra using the shuffle-and-reposition method.
• Use predicted spectral libraries from FASTA input using Prosit.
• Incorporate neutral loss information in spectrum-to-vector conversion.

Changed

• Internal spectral library storage using LanceDB.

Fixed

• Fix mzTab PSM headers.

Full Changelog: v0.3.3...v0.4.0

v0.3.3

• BUGFIX: Return error code 0 upon successful completion

v0.3.2

• BUGFIX: Fix incorrect MsmsSpectrum identifier.

v0.3.1

• BUGFIX: Installation failure due to importing the version in setup.py

v0.3.0

• BUGFIX: Correctly export the library identifiers in the mzTab output
• FEATURE: Run using a Python API

v0.2.4

• BUGFIX: Update plotting functionality to the new spectrum_utils fragment API

v0.2.3

• BUGFIX: Update to new spectrum_utils fragment API

v0.2.2

• Fix help message for Python 3.7

v0.2.1

• Correctly follow the mzTab specification to export PSM spectrum references

v0.2.0

• Feature hashing to convert high-resolution spectra to vectors
• GPU-assisted ANN searching via Faiss
• Batch query processing
• Cython-powered splib spectral library reading
• Extracted spectrum processing to the spectrum_utils package