nmr-data

There are 20 repositories under nmr-data topic.

  • spectrochempy

    spectrochempy/spectrochempy

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

    Language:Python129720024

  • rformassspectrometry/metaRbolomics-book

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

    Language:TeX33113010

  • 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:JavaScript1467495

  • rserial/pyflint

    Python implementation of FLINT algorithm for NMR relaxation data.

    Language:Jupyter Notebook3200

  • geekysuavo/hx

    A dalliance with C++17 TMP for NMR processing

    Language:C++2200

  • geekysuavo/libhxnd

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

    Language:C2200

  • greenwoodad/nmrsync

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

    Language:Shell2111

  • salvadorblasco/gems

    Home to the GEneral Microspeciation Solver

    Language:Python2100

  • Anantha-Rao12/NMR-ML4SCI-GSOC21

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

    Language:Jupyter Notebook1100

  • glasgowcompbio/pyBatman

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

    Language:Jupyter Notebook1212

  • 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.

    Language:Shell1110

  • 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.

    Language:Shell1120

  • hbrmn/dypole

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

    Language:Python1101

  • mauriciomafra-103/Petrophysics

    Petrophysic is a Python library developed to assist in the processing of Nuclear Magnetic Resonance (NMR) data, obtaining parameters such as porosity, T2 components, and permeability, as well as providing tools for data visualization. This project is part of a postgraduate work and aims to provide efficient tools for relaxation data analysis.

    Language:Python1100

  • MetallerTM/klassez

    A package for the management of NMR data

    Language:Python1100

  • MetaSys-LISBP/Interact

    Analysis of 1D and 2D NMR titration experiments.

    Language:Python1201

  • 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.

    Language:Python1101

  • RichardReznicek/NMRFilip

    NMR data processing software

    Language:C++1100

  • MetaSys-LISBP/KinetX

    Supplementary code of Cox et al., 2019

    Language:Python0201

  • 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

    Language:C0100