nmr

There are 165 repositories under nmr topic.

  • pavel-demin/red-pitaya-notes

    Notes on the Red Pitaya Open Source Instrument

    Language:Tcl33455478207

  • weisscharlesj/SciCompforChemists

    Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.

    Language:Jupyter Notebook21511367
  • spectrochempy

    spectrochempy/spectrochempy

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

    Language:Python126719624

  • 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.

    Language:MATLAB865427

  • OpenChrom/openchrom

    Visualization and Analysis of mass spectrometric and chromatographic data.

    Language:Java83631324

  • bryanhanson/ChemoSpec

    R functions for the chemometric analysis of spectra

    Language:R57156421

  • cheminfo/nmrium

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

    Language:TypeScript5572.1k25
  • synthetic_well-log_polynomial_regression

    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.

    Language:Jupyter Notebook333127

  • rformassspectrometry/metaRbolomics-book

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

    Language:TeX33113010
  • mrsimulator

    deepanshs/mrsimulator

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

    Language:Python3226213

  • dceresoli/qe-gipaw

    QE-GIPAW for Quantum-Espresso (official repository)

    Language:Fortran3061911

  • gbouvignies/ChemEx

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

    Language:Python28106114

  • workflow4metabolomics/tools-metabolomics

    Galaxy tools for metabolomics maintained by Workflow4Metabolomics

    Language:R25109426

  • sametz/nmrsim

    A Python library for NMR simulation

    Language:Python214116

  • bryanhanson/FOSS4Spectroscopy

    FOSS Resources for Spectroscopy

    Language:JavaScript186106

  • simongravelle/nmrformd

    NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.

    Language:Python18214

  • spike-project/spike

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

    Language:Jupyter Notebook17508

  • bio-phys/BioEn

    BioEn - Bayesian Inference Of ENsembles

    Language:Python16838

  • kev-m/pyCoilGen

    Magnetic Field Coil Generator for Python, ported from CoilGen

    Language:Python141105

  • 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.

    Language:JavaScript1467414
  • ChemSharp

    JensKrumsieck/ChemSharp

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

    Language:C#12325

  • r-hyperspec/hyperSpec

    hyperSpec: Tools for Spectroscopy (R package)

    Language:R128723
  • FarSeer-NMR

    Farseer-NMR/FarSeer-NMR

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

    Language:Python1051675

  • workflow4metabolomics/workflow4metabolomics

    Workflow4Metabolomics meta repository

    Language:HTML109154

  • liningtonlab/madbyte

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

    Language:Python93161

  • pnnl/nmrfit

    Quantitative NMR analysis through least-squares fit of spectroscopy data

    Language:Python9415
  • soprano

    CCP-NC/soprano

    Soprano - a Python library to crack crystals!

    Language:Python841312

  • DNPLab/DNPLab

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

    Language:Python742085

  • fracpete/jcamp-dx

    Reference implemention of the IUPAC JCAMP-DX spectroscopy data standard. Fork of https://sourceforge.net/projects/jcamp-dx/

    Language:Java7277

  • cheminfo/nmr-parser

    read and convert any NMR file

    Language:JavaScript65141

  • delsuc/PALMA

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

    Language:Jupyter Notebook6403

  • jwist/coffee

    Datasets of metabolic profiles of coffees from different species and origin

    Language:R6400

  • madssakre/blOCh

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

    Language:MATLAB6202

  • PPKE-Bioinf/consensx.itk.ppke.hu

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

    Language:Python63410

  • 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.

    Language:Jupyter Notebook510

  • yongrenjie/penguins

    A Python 3 package for analysing and plotting NMR spectra.

    Language:Python51192