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.

Software for the prediction of DEER and PRE data from conformational ensembles.

Library for processing of chemistry related files (aiming at spectroscopy and structural files)

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

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.

Metabolomics Standards Initiative Ontology

A Python 3 package for analysing and plotting NMR spectra.