nmr

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.

Visualization and Analysis of mass spectrometric and chromatographic data.

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

R functions for the chemometric analysis of spectra

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.

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.

QE-GIPAW for Quantum-Espresso (official repository)

A fast solid-state NMR spectrum simulation and analysis library.

ChemEx is an analysis program for chemical exchange detected by NMR.

Galaxy tools for metabolomics maintained by Workflow4Metabolomics

A Python library for NMR simulation

FOSS Resources for Spectroscopy

Python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.

BioEn - Bayesian Inference Of ENsembles

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

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

Workflow4Metabolomics meta repository

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