pkgsrc-wip/py-efmlrs/DESCR

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EFMlrs EFMlrs is a Python package combined with a designated workflow that
makes it easy for users to calculate elementary flux modes (EFMs) using a
new approach in metabolic modelling - the [mplrs algorithm](http://
cgm.cs.mcgill.ca/~avis/C/lrs.html). Besides this new approach also [efmtool]
(https://csb.ethz.ch/tools/software/efmtool.html) is supported, as it uses
the most common and established algorithm for calculating EFMs - the double
description method.
The mplrs algorithm can make use of up to two thousand threads in parallel
so that for the first time EFMs can be calculated for models that are too
big to be calculated using tools e.g. efmtool that are based on the double
description method. Furthermore the EFMlrs package provides a method that
makes it possible to integrate reaction bounds from the sbml files, so that
subsets of EFMs can be calculated. This feature is compatible with both
algorithms, the mplrs algorithm and the efmtool. EFMlrs can be used as a
stand alone console python program but is flexible enough to be integrated
in already established workflows