Visualization and Analysis of mass spectrometric and chromatographic data.
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Updated
May 29, 2024 - Java
Visualization and Analysis of mass spectrometric and chromatographic data.
DNPLab - Bringing the power of Python to DNP-NMR Spectroscopy
React component to display and process nuclear magnetic resonance (NMR) spectra.
SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
A Python 3 package for analysing and plotting NMR spectra.
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.
Simulation of all NMR quantum gates and pulses
NASQQ: end-to-end Nextflow pipeline designed for automated analysis of 1D 1H NMR proton magnetic resonance spectra.
Wing Ying Chow (Warwick, UK) lab website. Using magnetic resonance to deliver new insight to human health and disease.
Web apps using streamlit mostly for NMR related calculations.
Kern Lab website
A wrapper around NMRium react component to enable seamless integration into third-party applications built on any modern framework.
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.
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
Mint your own NMR spectra from scratch! (version 0.3.1 beta)
Library for processing of chemistry related files (aiming at spectroscopy and structural files)
A package to perform fingerprints from spectroscopy datas.
R package that provide interactive graphical interface for metabolic profiling
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