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GitHub topics: isotopomer

ckelly314/pyisotopomer

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.

Language: Jupyter Notebook - Size: 5.45 MB - Last synced: 26 days ago - Pushed: 7 months ago - Stars: 1 - Forks: 0

MetaSys-LISBP/IsoSolve Fork of sgsokol/IsoSolve

Integration of isotopic measurements

Language: Python - Size: 1 MB - Last synced: 28 days ago - Pushed: about 3 years ago - Stars: 4 - Forks: 1

MetaSys-LISBP/IsoSolve_notebook

Showcase IsoSolve

Language: HTML - Size: 11.1 MB - Last synced: 28 days ago - Pushed: about 3 years ago - Stars: 3 - Forks: 2

EMSL-NMR-EPR/Haskell-MFAPipe-Executable

Open source software for parallel labeling, steady state metabolic flux analysis

Language: Haskell - Size: 838 KB - Last synced: 7 months ago - Pushed: about 6 years ago - Stars: 6 - Forks: 1

GaidaiIgor/PES_isotopomer

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.

Language: Fortran - Size: 27.3 KB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 0 - Forks: 0