Open source software for parallel labeling, steady state metabolic flux analysis
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Updated
May 8, 2018 - Haskell
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isotopomer
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Integration of isotopic measurements
systems-biology
nmr
metabolomics
ms
fluxomics
isotopomer
cumomer
isotopologue
isotope-labeling-experiments
elementary-metabolite-unit
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Mar 8, 2021 - Python
Showcase IsoSolve
systems-biology
nmr
metabolomics
mass-spectrometry
emu
fluxomics
isotopomer
cumomer
isotopologue
isotope-labeling-experiments
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Mar 15, 2021 - HTML
pyisotopomer is a Python toolbox for processing nitrous oxide (N2O) isotopomer data. Its core is a package of scripts to correct for scrambling in the ion source during isotope ratio mass spectrometry.
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Oct 18, 2023 - Jupyter Notebook
Fortran modules for conversion between Euler coordinates of two rigid rotor molecules and Euler coordinates of their isotopomers. Can be used to convert the Potential Energy Surface of the main isotopomer to rare isotopomers.
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Nov 9, 2022 - Fortran
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