nmr-spectroscopy

Open source Earth's Field NMR Spectrometer

Visualization and Analysis of mass spectrometric and chromatographic data.

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

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

energetic sorting of conformer rotamer ensembles

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

CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

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

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

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.

NMR spectroscopy software for line shape fitting and downstream analysis

Metabolomics Standards Initiative Ontology

R package that provide interactive graphical interface for metabolic profiling

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

Tools for extracting structural information from NMR chemical shift data

utilities for dealing with bruker nmr/mri systems and data

Convex Accelerated Maximum Entropy Reconstruction Algorithm

An open source framework for n-dimensional hypercomplex calculations for NMR

Strategy for improved characterisation of human metabolic phenotypes using a COmbined Multiblock Principal components Analysis with Statistical Spectroscopy (COMPASS)

Post-processing tool-set for ab-intio calculations using VASP.

Parameter Optimisation by Iterative Spectral Evaluation: a TopSpin-compatible NMR package

Tool for computer-assisted structure elucidation of (un)known compounds by re-assembling known fragments.

mirror of http://eos.univ-reims.fr/LSD/index_ENG.html

Collection of data processing functions for 1D and 2D NMR data.

Repositorio para consulta de avances de proyecto "Validacion del Método de Duplicación de J en proteínas". Autor Principal: Liat Colmenares V. Autores complementarios: Federico del Rio Portilla, Erick Feredico Del Rio Pulido & Ana Daniela del Rio Pulido. todos los derechos reservados

Quantitative NMR analysis through least-squares fit of spectroscopy data

read and convert any NMR file

Web Services for Computer-Assisted Structure Elucidation (CASE)

Study of molecular motion of Glycerol using NMR modeling and simulations

Because backing up early and often is especially important with this