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spectrochempy
spectrochempy

SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python

7K 166 32
elkins
synth-nmr

NMR spectroscopy calculations for protein structures

6K 1 0
deepanshs
mrsimulator

A fast solid-state NMR spectrum simulation and analysis library.

3K 45 14
DNPLab
dnplab

DNPLab - Bringing the Power of Python to DNP-NMR Spectroscopy

3K 10 6
gbouvignies
chemex

ChemEx is an analysis program for chemical exchange detected by NMR.

2K 38 18
MetallerTM
klassez

A collection of functions for NMR data handling

956 1 0
sametz
nmrsim

A Python library for NMR simulation

695 27 8
yongrenjie
penguins

Penguins: an ENjoyable Gateway to Unpacking and Illustrating NMR Spectra

633 6 2
spike-project
spike-py

SPIKE a collaborative development for a FT-spectroscopy processing program.

541 21 8
kev-m
pycoilgen

Magnetic Field Coil Generator for Python.

508 23 11
hawkMRS
pyamares

pyAMARES, an Open-Source Python Library for Fitting Magnetic Resonance Spectroscopy Data

363 7 2
andrewendlinger
xmris

An xarray-based MRI and MRS toolbox

346 4 0
Bridge12Technologies
pyb12mps

Python package to control Bridge12 MPS

335 1 2
1feres1
pynmranalysis

A Python Toolbox for preprocessing and analysing NMR data

323 4 1
simongravelle
nmrformd

Calculate dipolar NMR relaxation time from molecular dynamics trajectory file

275 25 7
kev-m
pycoilgen-data

Extra data for pyCoilGen, the Open source Magnetic Resonance Coil Generator.

246 23 11
MoseleyBioinformaticsLab
nmrstarlib

The nmrstarlib package is a Python library that facilitates reading and writing NMR-STAR formatted files.

239 5 1
DeepanshS
mrinversion

Python based statistical learning of NMR tensor and relaxation parameters distribution.

184 8 2
rserial
flintpy-nmr

Python implementation of FLINT algorithm for NMR relaxation data.

162 4 0
rserial
spinsolveproc

Python library to process Spinsolve NMR experiments.

143 8 0
kev-m
pycoilgen-utils

Magnetic Field Coil Generator for Python, ported from CoilGen

122 23 11
nuts-org
spinplots

SpinPlots is a Python package built on top of NMRglue, designed to simplify the process of plotting NMR data.

76 5 3
FarSeer-NMR
farseernmr

A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.

64 12 5
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