nmr-data

There are 0 repository under nmr-data topic.

• spectrochempy

  spectrochempy / spectrochempy

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

  spectroscopychemistrydata-analysisprocessingdatasetspythoninfrarednmr-spectroscopyuv-visftir-data-analysisftirramanraman-spectroscopyraman-spectranmrnmr-data
  Language:Python 114

• rformassspectrometry / metaRbolomics-book

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

  rmetabolomicsmultivariate-statisticslc-mslc-msmsnmrnmr-spectroscopynmr-datalcmsmetabonomicsrstats
  Language:TeX 32

• 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 natural product (NP) researchers by enabling storage, management, sharing and analysis of NMR data.

  nmrnmr-datanfdi4chem
  Language:JavaScript 14

• rserial / pyflint

  Python implementation of FLINT algorithm for NMR relaxation data.

  flintnmrpythonnmr-datanmr-relaxationinverse-laplace-transform
  Language:Jupyter Notebook 3

• geekysuavo / hx

  A dalliance with C++17 TMP for NMR processing

  template-metaprogrammingmultidimensional-arraysmulticomplex-numbersnmr-data
  Language:C++ 2

• geekysuavo / libhxnd

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

  hypercomplex-numbermultidimensional-arraysnmr-datanmr-spectroscopyprocessing
  Language:C 2

• salvadorblasco / gems

  Home to the GEneral Microspeciation Solver

  chemistryequilibrium-constantsfittingnmr-data
  Language:Python 2

• Anantha-Rao12 / NMR-ML4SCI-GSOC21

  Google Summer of Code (GSoC) 2021 project weekly updates.

  machine-learningnmr-datasupervised-machine-learningunsupervised-machine-learning
  Language:Jupyter Notebook 1

• glasgowcompbio / pyBatman

  A pipeline to infer metabolite concentrations from 1D NMR data using BATMAN (Bayesian AuTomated Metabolite Analyser for NMR)

  nmrnmr-databatmaninfer-metabolite-concentrationspipelinemetabolites
  Language:Jupyter Notebook 1

• greenwoodad / nmrsync

  Lightweight implementation of rsync specifically designed to regularly copy Bruker NMR datasets from instrument computers to a server.

  nmrrsyncbruker-nmrbrukernmr-spectroscopynmr-data
  Language:Shell 1

• hbrmn / dypole

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

  2d-nmr-datanmrnmr-spectroscopynmr-data
  Language:Python 1

• MetaSys-LISBP / Interact

  Analysis of 1D and 2D NMR titration experiments.

  nmrprotein-protein-interactionprotein-ligand-interactionsnmr-datatitration
  Language:Python 1

• quantori / structure-seer

  The implementation, training and evaluation of a Structure Seer machine learning model designed for reconstruction of adjacency of a molecular graph from the labelling of its nodes.

  cheminformaticsgraphmachine-learningmlmoleculegraph-convolutional-networkmolecular-graphmolecular-graph-learningmolecule-generationnmr-datanmr-spectroscopy
  Language:Python 1

• RichardReznicek / NMRFilip

  NMR data processing software

  bruker-nmrcc-plus-pluslinuxmeasurement-datanmr-datanmr-spectroscopyprocessingwindowswxwidgets-applications
  Language:C++ 1

• greenwoodad / iconcheck

  Bash script for monitoring ICON-NMR sessions on multiple NMR instruments and sending emails to the NMR manager and/or users when things go wrong.

  nmrnmr-spectroscopybruker-nmrnmr-databrukeremail-sender
  Language:Shell 0

• greenwoodad / nmrfolderfix

  Bash script for automatic renaming of Bruker NMR datasets with problematic names (ending-in-a-period, identical-to-another-except-for-case) once the data is finished acquiring.

  nmrnmr-spectroscopynmr-databruker-nmrbruker
  Language:Shell 0

• MetaSys-LISBP / KinetX

  Supplementary code of Cox et al., 2019

  enzyme-kineticsin-vitro-enzymologymetabolismnmr-data
  Language:Python 0

• Piyorin-419 / 1H-NMR

  SIのための1H NMRのケミカルシフト及びスピン結合定数の計算

  c-languagecalculatorchemical-shiftnmr-data
  Language:C 0

• MetallerTM / klassez

  A package for the management of NMR data

  nmrnmr-datanmr-spectroscopy
  Language:Python