nmr-spectroscopy
Here are 91 public repositories matching this topic...
emacs mode for editing bruker ppg pulse sequences
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Sep 2, 2015 - Emacs Lisp
c and matlab routines for reading varian/agilent nmr/mri data files
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Mar 24, 2016 - C
Search for new PDB structures corresponding to a search term and deposited after a certain date.
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Aug 2, 2017 - Python
Statistical model(s) for the prediction of NMR one-bond proton-carbon coupling constants to aid in computer assisted structure elucidation. The models are based on quantitative structure property descriptors calculated from mined literature data. Predictions were benchmarked against one-bond proton-carbon values computed via a quantum-mechanical…
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Oct 24, 2017 - HTML
NMR spectroscopy software for line shape fitting and downstream analysis
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Dec 28, 2017 - HTML
Install Ensemble Suite (NMR software) into a Linux container
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Dec 10, 2018
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Dec 14, 2018 - C
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Jan 20, 2019 - Python
Importing, processing, and plotting Bruker NMR data in R
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Jul 10, 2019 - R
Quantitative NMR analysis through least-squares fit of spectroscopy data
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Jan 29, 2020 - Python
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Feb 13, 2020 - C++
A set of utilities for medical imaging, particularly on the Varian (later Agilent) MR platform
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Mar 30, 2020 - C
utilities for dealing with bruker nmr/mri systems and data
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Apr 16, 2020 - C++
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Jun 18, 2020 - C
the Gifa v4 program - in an effort to revive the program.
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Jun 24, 2020 - HTML
Strategy for improved characterisation of human metabolic phenotypes using a COmbined Multiblock Principal components Analysis with Statistical Spectroscopy (COMPASS)
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Jul 29, 2020 - R
NMR data processing software
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Aug 30, 2020 - C++
Web-application for 2D NMR peak picking and result visualisation using a Laplacian of Gaussian (LoG) and deep learning (TF Keras) approach - currently under development
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Sep 12, 2020 - R
Extract signals from J-resolved NMR spectra (Cox et al., 2020)
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Sep 30, 2020 - Python
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