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92 public repositories
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MINOTAUR (Matching INtensities to Optimize the Timescales and AmplitUdes of motions from Relaxometry) aims at analyzing high-field accurate NMR relaxation rates together with relaxometry intensity decays recorded under shuttling conditions to yield an accurate description of the dynamic properties of the system under study.
Updated
Jul 12, 2024
HTML
React component to display and process nuclear magnetic resonance (NMR) spectra.
Updated
Jul 12, 2024
TypeScript
DNPLab - Bringing the power of Python to DNP-NMR Spectroscopy
Updated
Jul 9, 2024
Python
Visualization and Analysis of mass spectrometric and chromatographic data.
SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
Updated
Jul 14, 2024
Python
A wrapper around NMRium react component to enable seamless integration into third-party applications built on any modern framework.
Updated
Jul 4, 2024
TypeScript
A package to perform fingerprints from spectroscopy datas.
Updated
Jul 3, 2024
Jupyter Notebook
R/Bioconductor Package - Interface to the Metabolomics Workbench RESTful API
A package for the management of NMR data
Updated
Jun 27, 2024
Python
Library for processing of chemistry related files (aiming at spectroscopy and structural files)
A python interface for SIMPSON
Updated
Jun 12, 2024
Python
NASQQ: end-to-end Nextflow pipeline designed for automated analysis of 1D 1H NMR proton magnetic resonance spectra.
A Python 3 package for analysing and plotting NMR spectra.
Updated
May 27, 2024
Python
Simulation of all NMR quantum gates and pulses
Updated
May 16, 2024
Jupyter Notebook
Wing Ying Chow (Warwick, UK) lab website. Using magnetic resonance to deliver new insight to human health and disease.
liquid state NMR analysis tool
Web apps using streamlit mostly for NMR related calculations.
Updated
Apr 19, 2024
Python
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.
Updated
Mar 11, 2024
Shell
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
Updated
Mar 8, 2024
Python
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