Ecosyste.ms: Awesome
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awesome-chemistry-nmr-nuclear-magnetic-resonance
NMR! 💻📊 Excited to share my findings with the scientific community!
https://github.com/zhutaosheng/awesome-chemistry-nmr-nuclear-magnetic-resonance
Last synced: 5 days ago
JSON representation
-
Awesome Chemistry - NMR (Nuclear magnetic resonance) [](https://github.com/sindresorhus/awesome)
- Awesome Chemistry - NMR (Nuclear magnetic resonance) .
- pyNMR - A python module to import NMR data stored in Bruker / TopSpin, TecMag / NTNMR, Magritek / Kea or Chemagnetics / Spinsight format.
- nmrmint - an application for creating simulated complete NMR spectra (currently 1H NMR only) for use in chemical education. [tutorial of nmrmint](https://nmrmint.readthedocs.io/en/latest/index.html).
- molecule_search_nmr - Molecular search by NMR spectrum based on evaluation of matching between spectrum and molecule. Implementation of the algorithm described in the [paper](https://www.nature.com/articles/s41598-021-00488-z).
- relax_spectrum - A simple package to fit spectrometry experiments (e.g. Raman, Infrared, NMR in frequency domain ...).
- SPECTRUM : Spectral Analysis in Python - Spectral Analysis in Python. [documentation](https://pyspectrum.readthedocs.io/en/latest/quickstart.html).
- python-nmr/py-code/jcampdx.py - ref the jcamp pypi.org - Python utilities for reading JCAMP-DX files - The GitHub repository comes with four folders containing JCAMP-format files.
- PyBMRB - BMRB 2 is the global archive of NMR spectroscopic data derived from biological molecules like proteins, nucleic acids and metabolites.
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NMR spectrum data libraries
- SDBS Spectral Database for Organic Compounds - Japan SDBS Compounds and Spectral Search
- GitHubNMRium - React component to display and process nuclear magnetic resonance (NMR) spectra.
- BMRB - BMRB makes bio-NMR data FAIR.
- SDBS Spectral Database for Organic Compounds - Japan SDBS Compounds and Spectral Search
- Wiley Free Spectral Database - Free, fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and Mass Spectra.
- nmrshiftdb2 - nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra.
- NMRium - NMRium handles advanced NMR spectra processing in the browser.
- NMReDATA initiative - GENERATE, STORE AND SHARE THE DATA EXTRACTED FROM SET OF NMR SPECTRA ASSOCIATED TO A COMPOUND.
- NMR Natural Product Data - The Natural Product Magnetic Resonance Database Project
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JCAMP-DX-formatted files
- nmr-tools - Tools For NMR data processing and analysis
- pyjdx - A Python library to parse JCAMP-DX spectral data files
- Parsing JCAMP-DX with Python - protyping repo for experiments on semantifying JCAMP-DX files
- dypole - Collection of data processing functions for 1D and 2D NMR data.
- jcamp pypi.org - Python utilities for reading JCAMP-DX files - The [GitHub](https://github.com/nzhagen/jcamp) repository comes with four folders containing JCAMP-format files. hnmr_spectra, infrared_spectra, mass_spectra, neutron_scattering_spectra, raman_spectra, uvvis_spectra can be processed.
- Example of Python utilities for reading JCAMP-DX files - jcamp – a Python module for reading JCAMP-DX format spectral data.
- With ppm nmrsim.readthedocs.io Demo: Simulation of Tyrosine NMR Spectrum
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Softwares
- wxNUTS - NUTS (NMR Utility Transform Software) is being ported to the wxWidgets open source class library.
- bruker Vibrational Spectoscopy Software OPUS - PUS Viewer: OPUS Viewer is a free program that can open all kinds of Bruker's OPUS, JCAMP-DX and Galactic Grams files.
- Collaborative Computing Project for NMR (CCPN) - the Collaborative Computing Project for NMR (CCPN) aims to improve and integrate software tools for scientists involved in NMR spectroscopy of biological molecules.
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NMR exercises
- NMR exercises - NMR spectral interpretation based on examples. one of [example](https://www.nmr.tips/Einfuehrung/1/Web/e/JS/S/index.html) from it.
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NMR Project used link
- NMR@CEMHTI - The Dmfit programs enables fitting of solid state (and liquid) NMR spectra, including 1D and 2D datasets
- NMRdb.org - Tools for NMR spectroscopists
- Mnova - Designed for synthetic chemists with tools to confirm your structure and get purity or concentration for your compounds of interest automatically.
- nmrML - nmrML is an open mark-up language for NMR data.
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Dataverse project
- Dataverse project - Open source research data repository software
- Harvard Dataverse project - Find data across research fields, preview metadata, and download files
Programming Languages
Categories
NMR GitHub Projects used link
9
NMR spectrum data libraries
9
JCAMP-DX-formatted files
7
NMR Project used link
4
Softwares
3
Dataverse project
2
Awesome Chemistry - NMR (Nuclear magnetic resonance) [](https://github.com/sindresorhus/awesome)
2
NMR exercises
1
](https://github.com/sindresorhus/awesome) 2](#category-Awesome Chemistry - NMR (Nuclear magnetic resonance) [](https://github.com/sindresorhus/awesome)){kind=link}
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