nmr
There are 164 repositories under nmr topic.
pavel-demin/red-pitaya-notes
Notes on the Red Pitaya Open Source Instrument
spectrochempy/spectrochempy
SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
jnagy1/IRtools
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.
OpenChrom/openchrom
Visualization and Analysis of mass spectrometric and chromatographic data.
bryanhanson/ChemoSpec
R functions for the chemometric analysis of spectra
cheminfo/nmrium
React component to display and process nuclear magnetic resonance (NMR) spectra.
abhishekdbihani/synthetic_well-log_polynomial_regression
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.
deepanshs/mrsimulator
A fast solid-state NMR spectrum simulation and analysis library.
rformassspectrometry/metaRbolomics-book
The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.
dceresoli/qe-gipaw
QE-GIPAW for Quantum-Espresso (official repository)
gbouvignies/ChemEx
ChemEx is an analysis program for chemical exchange detected by NMR.
workflow4metabolomics/tools-metabolomics
Galaxy tools for metabolomics maintained by Workflow4Metabolomics
sametz/nmrsim
A Python library for NMR simulation
simongravelle/nmrformd
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
bryanhanson/FOSS4Spectroscopy
FOSS Resources for Spectroscopy
spike-project/spike
SPIKE a collaborative development for a FT-spectroscopy processing program.
bio-phys/BioEn
BioEn - Bayesian Inference Of ENsembles
kev-m/pyCoilGen
Magnetic Field Coil Generator for Python, ported from CoilGen
NFDI4Chem/nmrxiv
nmrXiv is currently developed as the FAIR, consensus-driven NMR data repository and computational platform. The ultimate goal is to accelerate broader coordination and data sharing among researchers by enabling storage, management, sharing and analysis of NMR data.
r-hyperspec/hyperSpec
hyperSpec: Tools for Spectroscopy (R package)
JensKrumsieck/ChemSharp
Library for processing of chemistry related files (aiming at spectroscopy and structural files)
Farseer-NMR/FarSeer-NMR
A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.
liningtonlab/madbyte
Metabolomics And Dereplication By Two-dimensional Experiments - MADByTE NMR Metabolomics Platform
workflow4metabolomics/workflow4metabolomics
Workflow4Metabolomics meta repository
CCP-NC/soprano
Soprano - a Python library to crack crystals!
pnnl/nmrfit
Quantitative NMR analysis through least-squares fit of spectroscopy data
DNPLab/DNPLab
DNPLab - Bringing the power of Python to DNP-NMR Spectroscopy
fracpete/jcamp-dx
Reference implemention of the IUPAC JCAMP-DX spectroscopy data standard. Fork of https://sourceforge.net/projects/jcamp-dx/
PPKE-Bioinf/consensx.itk.ppke.hu
CoNSEnsX - Complience of NMR-derived Structural Ensembles with Experimental Data
cheminfo/nmr-parser
read and convert any NMR file
delsuc/PALMA
repository associated with manuscript "PALMA, an improved algorithm for DOSY signal processing"
jwist/coffee
Datasets of metabolic profiles of coffees from different species and origin
madssakre/blOCh
Bloch's equations and Optimal Control for MRI and NMR applications
Philliec459/NMR-Log-Echo-Train-Inversion-in-Geolog-using-Scipy-Optimization
This repository employs NMR log echo train inversion using Scipy optimization with Tikhonov regularization, which adds a penalty term equal to the sum of the squares of the parameters. This project has both a Jupyter Notebook as well as a Geolog project.
simongravelle/publication-data
Data and scripts from recent publications
yongrenjie/penguins
A Python 3 package for analysing and plotting NMR spectra.