nmr-spectroscopy topic

SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python

spectrochempy

Open source Earth's Field NMR Spectrometer

geekysuavo

NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.

simongravelle

The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.

rformassspectrometry

CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

grimme-lab

Visualization and Analysis of mass spectrometric and chromatographic data.

OpenChrom

React component to display and process nuclear magnetic resonance (NMR) spectra.

cheminfo