nmr
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SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
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Jul 20, 2024 - Python
MATLAB package of iterative regularization methods and large-scale test problems. This software is described in the paper "IR Tools: A MATLAB Package of Iterative Regularization Methods and Large-Scale Test Problems" that will be published in Numerical Algorithms, 2018.
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May 12, 2022 - MATLAB
Visualization and Analysis of mass spectrometric and chromatographic data.
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Jul 9, 2024 - Java
R functions for the chemometric analysis of spectra
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Feb 3, 2024 - R
React component to display and process nuclear magnetic resonance (NMR) spectra.
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Jul 19, 2024 - TypeScript
The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.
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Mar 23, 2021 - TeX
This project attempts to construct a missing well log from other available well logs, more specifically an NMR well log from the measured Gamma Ray (GR), Caliper, Resistivity logs and the interpreted porosity from a well.
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Sep 21, 2020 - Jupyter Notebook
A fast solid-state NMR spectrum simulation and analysis library.
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Jul 3, 2024 - Python
QE-GIPAW for Quantum-Espresso (official repository)
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Jul 16, 2024 - Fortran
ChemEx is an analysis program for chemical exchange detected by NMR.
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Jul 16, 2024 - Python
Galaxy tools for metabolomics maintained by Workflow4Metabolomics
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Jul 15, 2024 - R
FOSS Resources for Spectroscopy
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Aug 17, 2023 - JavaScript
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
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Mar 8, 2024 - Python
SPIKE a collaborative development for a FT-spectroscopy processing program.
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Oct 17, 2023 - Jupyter Notebook
BioEn - Bayesian Inference Of ENsembles
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Feb 6, 2024 - Python
nmrXiv is currently developed as the FAIR, consensus-driven NMR data repository and computational platform. The ultimate goal is to accelerate broader coordination and data sharing among natural product (NP) researchers by enabling storage, management, sharing and analysis of NMR data.
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Jun 28, 2024 - JavaScript
hyperSpec: Tools for Spectroscopy (R package)
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May 27, 2024 - R
Magnetic Field Coil Generator for Python, ported from CoilGen
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Jun 24, 2024 - Python
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