Notes on the Red Pitaya Open Source Instrument

MATLAB package of iterative regularization methods and large-scale test problems. This software is described in the paper "IR Tools: A MATLAB Package of Iterative Regularization Methods and Large-Scale Test Problems" that will be published in Numerical Algorithms, 2018.

R functions for the chemometric analysis of spectra

Visualization and Analysis of mass spectrometric and chromatographic data.

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

QE-GIPAW for Quantum-Espresso (official repository)

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

This project attempts to construct a missing well log from other available well logs, more specifically an NMR well log from the measured Gamma Ray (GR), Caliper, Resistivity logs and the interpreted porosity from a well.

Galaxy tools for metabolomics maintained by Workflow4Metabolomics

A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.

FOSS Resources for Spectroscopy

Workflow4Metabolomics meta repository

BioEn - Bayesian Inference Of ENsembles

A Python library for NMR simulation (v0.3.0 beta)

Soprano - a Python library to crack crystals!

Reference implemention of the IUPAC JCAMP-DX spectroscopy data standard. Fork of https://sourceforge.net/projects/jcamp-dx/

CoNSEnsX - Complience of NMR-derived Structural Ensembles with Experimental Data

Metabolomics And Dereplication By Two-dimensional Experiments - MADByTE NMR Metabolomics Platform

A set of utilities for medical imaging, particularly on the Varian (later Agilent) MR platform

Simulation of Dynamic Nuclear Magnetic Resonance (DNMR) spectra (beta v0.5.0)

SPIKE a collaborative development for a FT-spectroscopy processing program.

NMR spectroscopy software for line shape fitting and downstream analysis

Library to deal with spectra (IR, UV, ...), 1D NMR as well as 2D NMR

The nmrstarlib package is a Python library that facilitates reading and writing NMR-STAR formatted files.

general processing script for soil NMR data

Mint your own NMR spectra from scratch! (version 0.3.1 beta)

Exploratory Chemometrics for 2D Spectroscopy

Bloch's equations and Optimal Control for MRI and NMR applications