12 projects
wnetdeconv
Python implementation of spectral deconvolution using Wasserstein metric
wnetalign
Python implementation of spectral alignment using Wasserstein metric
wnet
Tools for calculation of Wasserstein metric between distributions based on Network Flow algorithm
pylmcf
Python bindings for Network Simplex algorithm from LEMON library
IsoSpecPy
IsoSpecPy is a Python library for computing isotopic distributions of molecules.
nwgrad
High-performance sequence alignment with gradients of the score w.r.t. the substitution matrix.
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
opentimspy
opentimspy: An open-source parser of Bruker Tims Data File (.tdf).
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
