12 projects
wnet
Tools for calculation of Wasserstein metric between distributions based on Network Flow algorithm
pylmcf
Min-cost-flow solvers for Python and C++: LEMON with warm restarts, plus link-cut-tree network simplex variants
nwgrad
High-performance sequence alignment with gradients of the score w.r.t. the substitution matrix.
opentimspy
opentimspy: An open-source parser of Bruker Tims Data File (.tdf).
IsoSpecPy
IsoSpecPy is a Python library for computing isotopic distributions of molecules.
wnetalign
Python implementation of spectral alignment using Wasserstein metric
wnetdeconv
Python implementation of spectral deconvolution using Wasserstein metric
magnetstein
Tools for quantitative analysis of nuclear magnetic resonance (NMR) spectra using the Wasserstein metric.
masserstein
A library for analysis of Mass Spectrometry data using the Wasserstein metric
OldIsoSpecPy
Python interface to IsoSpec++ isotopic envelope calculator library
install-proper-polars
Empty package that will check available CPU flags, and install polars or polars-lts-cpu as appropriate.
mocos-helper
Helper code for MOCOS-COVID19/modelling-ncov2019
