ENPKG integrates or is built on many computational metabolomics tools, such as #LOTUS, #SIRIUS, #GNPS, #matchms, #spec2vec, #GNPSDashboard, or #MassQL! A big thank you to the people behind them 🙏

➡ More info in the preprint: https://doi.org/10.26434/chemrxiv-2023-sljbt

Tutorial blog posts to get started with #matchms and #spec2vec which were done with @eScienceCenter were (slightly) updated to work with matchms 0.18.0:

--> https://blog.esciencecenter.nl/build-your-own-mass-spectrometry-analysis-pipeline-in-python-using-matchms-part-i-d96c718c68ee

#OpenScience #MassSpec #tutorials

New release of #matchms (0.18.0) and other key pieces of the matchms ecosystem: #spec2vec (0.8.0) & #ms2deepscore (0.3.1).😊
--> https://github.com/matchms/matchms

Main changes:
✨ Similarity scores are stored as sparse arrays
✨ New Pipeline class to assemble matchms workflows

#OpenSource #OpenScience

Thanks to all developers invovled in recent changes, including @twitter@hecht_h , Maxim Skoryk, Niek de Jonge, @twitter@jjjvanderhooft , David Joas.🙏