9 projects
pylmcf
Python bindings for Network Simplex algorithm from LEMON library
IsoSpecPy
IsoSpecPy is a Python library for computing isotopic distributions of molecules.
opentimspy
opentimspy: An open-source parser of Bruker Tims Data File (.tdf).
wnet
Tools for calculation of Wasserstein metric between distributions based on Network Flow algorithm
wnetalign
Python implementation of spectral alignment using Wasserstein metric
OldIsoSpecPy
Python interface to IsoSpec++ isotopic envelope calculator library
masserstein
A library for analysis of Mass Spectrometry data using the Wasserstein metric
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
