Florian HuberAug 18, 2023

We just made it in time for the Friday deadline! đŸ’«
2 new releases:

✹#matchms 0.22.0 --> https://pypi.org/project/matchms/

✹#ms2deepscore 0.5.0 --> https://pypi.org/project/ms2deepscore/

#opensource #openscience #massspec #Python
Many thanks to Niek de Jonge & Helge Hecht 🙏

matchms

Python library for large-scale comparisons and processing of tandem mass spectral data

PyPI
Florian HuberFeb 10, 2023

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.🙏

GitHub - matchms/matchms: Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.

Python library for processing (tandem) mass spectrometry data and for computing spectral similarities. - matchms/matchms

GitHub
Florian HuberDec 1, 2022

New #MS2DeepScore release (0.3.0) 🚀.

https://github.com/matchms/ms2deepscore

Now allows to include numerical metadata entries as features.

#openscience #opensource #python #massspec #metabolomics #deeplearning

GitHub - matchms/ms2deepscore: Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity

Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity - GitHub - matchms/ms2deepscore: Deep learning similarity measure for comparing MS/MS spectra ...

GitHub