nmr-spectroscopy
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SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
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Mar 23, 2025 - Python
Visualization and Analysis of mass spectrometric and chromatographic data.
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Mar 27, 2025 - Java
Open source Earth's Field NMR Spectrometer
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Jul 4, 2021 - C
React component to display and process nuclear magnetic resonance (NMR) spectra.
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Mar 28, 2025 - TypeScript
The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.
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Mar 23, 2021 - TeX
CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles
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Mar 28, 2025 - Python
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
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Dec 10, 2024 - Python
Library for processing of chemistry related files (aiming at spectroscopy and structural files)
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Jun 13, 2024 - C#
Software for the prediction of DEER and PRE data from conformational ensembles.
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Sep 3, 2024 - Jupyter Notebook
Quantitative NMR analysis through least-squares fit of spectroscopy data
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Jan 29, 2020 - Python
energetic sorting of conformer rotamer ensembles
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Sep 12, 2022 - Python
A wrapper around NMRium react component to enable seamless integration into third-party applications built on any modern framework.
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Mar 26, 2025 - TypeScript
R/Bioconductor Package - Interface to the Metabolomics Workbench RESTful API
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Jul 3, 2024 - R
A package to perform fingerprints from spectroscopy datas.
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Jul 25, 2024 - Jupyter Notebook
DNPLab - Bringing the power of Python to DNP-NMR Spectroscopy
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Mar 28, 2025 - Python
read and convert any NMR file
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Oct 21, 2022 - JavaScript
A Python 3 package for analysing and plotting NMR spectra.
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May 27, 2024 - Python
R package that provide interactive graphical interface for metabolic profiling
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Aug 2, 2024 - JavaScript
A software for ssnmr shield tensors calculations based on GIPAW method, Visualization of theoretical and experimental spectra, Conformer Generator with Genetic Algorithm and Boltzmann Probability of conformers.
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Oct 28, 2021 - Python
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