SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
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Updated
May 24, 2024 - Python
SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
A fast solid-state NMR spectrum simulation and analysis library.
ChemEx is an analysis program for chemical exchange detected by NMR.
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
BioEn - Bayesian Inference Of ENsembles
A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.
Magnetic Field Coil Generator for Python, ported from CoilGen
Metabolomics And Dereplication By Two-dimensional Experiments - MADByTE NMR Metabolomics Platform
Quantitative NMR analysis through least-squares fit of spectroscopy data
Soprano - a Python library to crack crystals!
CoNSEnsX - Complience of NMR-derived Structural Ensembles with Experimental Data
DNPLab - Bringing the power of Python to DNP-NMR Spectroscopy
The nmrstarlib package is a Python library that facilitates reading and writing NMR-STAR formatted files.
A Python 3 package for analysing and plotting NMR spectra.
Integration of isotopic measurements
Simulation of Dynamic Nuclear Magnetic Resonance (DNMR) spectra (beta v0.5.0)
Linear inversion of two-dimensional isotropic-anisotropic NMR correlation spectrum.
A progressive web app for fast, real-time solid-state NMR line-shape simulation.
Calculation of Product Operator for Nuclear Magnetic Resonance Spectroscopy Using Python
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