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.

R functions for the chemometric analysis of spectra

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

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

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

QE-GIPAW for Quantum-Espresso (official repository)

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

FOSS Resources for Spectroscopy

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

A Python library for NMR simulation (v0.5.2 beta)

BioEn - Bayesian Inference Of ENsembles

Workflow4Metabolomics meta repository

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/

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

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

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

repository associated with manuscript "PALMA, an improved algorithm for DOSY signal processing"

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

DNPLab - Bringing the power of Python to DNP-NMR Spectroscopy

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

A Python 3 package for analysing and plotting NMR spectra.

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

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

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

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