Quantitative NMR analysis through least-squares fit of spectroscopy data

Tools for quantitative analysis of nuclear magnetic resonance (NMR) spectra using the Wasserstein metric.

Estimation of extracellular fluxes and growth rate

Post-processing tool-set for ab-intio calculations using VASP.

A progressive web app for fast, real-time solid-state NMR line-shape simulation.

Data for magnetstein paper & web application. For more info see: https://github.com/BDomzal/magnetstein.

MagresView, a JavaScript, JMol-based viewer for computed NMR data in the Magres file format.

NMR text generator for Supporting Information of scientific papers

Archive of Varian EM-360 / EM-390 Nuclear Magnetic Resonance ( NMR ) Spectrometers + FT-NMR Upgrades

IsoDesign is a scientific tool to design 13C-fluxomics experiments.

NMR spectroscopy calculations for protein structures

Variationally Reweighted Least Squares

The excitation, precession, and return to equilibrium of hydrogen nuclei were modelled and used to reconstruct a 1-dimensional object defined by its spatial 𝑇2∗ parameter variation.

Calculate Flux Dynamics from Dynamic Concentrations of Metabolites

Employing Magnetstein for the analysis of chemical reactions.

Solving SuDoKu with backprop and take an NMR of it while at it

Research for the Poon Molecular Biophysics Lab at Georgia State University

Python implementation of the Sinusoidal weighted Poisson-Gap Sampling algorithm by Hyberts (2010)

Fiddling with nmr spectra subtraction