9 projects
matchms
Python library for large-scale comparisons and processing of tandem mass spectral data
ms2query
Tool to query MS/MS spectra against mass spectral library
ms2deepscore
Deep learning similarity measure for comparing MS/MS spectra.
matchmsextras
Additional functionalities to be used with matchms
spec2vec
Word2Vec based similarity measure of mass spectrometry data.
sparsestack
Python library to handle stacks of sparse COO arrays efficiently.
pickydict
More picky version of Python dictionary.
matchms-extras
Additional functionalities to be used with matchms
mtdynamics
MT dynamics simulation