nmr
There are 176 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
OpenChrom/openchrom
Visualization and Analysis of mass spectrometric and chromatographic data.
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.
bryanhanson/ChemoSpec
R functions for the chemometric analysis of spectra
cheminfo/nmrium
React component to display and process nuclear magnetic resonance (NMR) spectra.
deepanshs/mrsimulator
A fast solid-state NMR spectrum simulation and analysis library.
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.
dceresoli/qe-gipaw
QE-GIPAW for Quantum-Espresso (official repository)
rformassspectrometry/metaRbolomics-book
The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.
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.
bio-phys/BioEn
BioEn - Bayesian Inference Of ENsembles
bryanhanson/FOSS4Spectroscopy
FOSS Resources for Spectroscopy
spike-project/spike
SPIKE a collaborative development for a FT-spectroscopy processing program.
kev-m/pyCoilGen
Magnetic Field Coil Generator for Python, ported from CoilGen
r-hyperspec/hyperSpec
hyperSpec: Tools for Spectroscopy (R package)
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.
JensKrumsieck/ChemSharp
Library for processing of chemistry related files (aiming at spectroscopy and structural files)
liningtonlab/madbyte
Metabolomics And Dereplication By Two-dimensional Experiments - MADByTE NMR Metabolomics Platform
pnnl/nmrfit
Quantitative NMR analysis through least-squares fit of spectroscopy data
Farseer-NMR/FarSeer-NMR
A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.
workflow4metabolomics/workflow4metabolomics
Workflow4Metabolomics meta repository
CCP-NC/soprano
Soprano - a Python library to crack crystals!
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
simongravelle/publication-data
Data and scripts from recent publications
cheminfo/nmr-parser
read and convert any NMR file
deepanshs/mrinversion
Linear inversion of two-dimensional isotropic-anisotropic NMR correlation spectrum.
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.