SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
Visualization and Analysis of mass spectrometric and chromatographic data.
Open source Earth's Field NMR Spectrometer
React component to display and process nuclear magnetic resonance (NMR) spectra.
The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.
CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
Library for processing of chemistry related files (aiming at spectroscopy and structural files)
Software for the prediction of DEER and PRE data from conformational ensembles.
Quantitative NMR analysis through least-squares fit of spectroscopy data
energetic sorting of conformer rotamer ensembles
A wrapper around NMRium react component to enable seamless integration into third-party applications built on any modern framework.
R/Bioconductor Package - Interface to the Metabolomics Workbench RESTful API
A package to perform fingerprints from spectroscopy datas.
DNPLab - Bringing the power of Python to DNP-NMR Spectroscopy
read and convert any NMR file
R package that provide interactive graphical interface for metabolic profiling
Metabolomics Standards Initiative Ontology
A software for ssnmr shield tensors calculations based on GIPAW method, Visualization of theoretical and experimental spectra, Conformer Generator with Genetic Algorithm and Boltzmann Probability of conformers.
Add a description, image, and links to the nmr-spectroscopy topic page so that developers can more easily learn about it.
To associate your repository with the nmr-spectroscopy topic, visit your repo's landing page and select "manage topics."