Nmr Python Packages

spectrochempy

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

12K 177 35

diff-biophys

Differentiable biophysical modeling in JAX (SAXS, NMR, CD), with Jupyter Notebook examples.

10K 0 0

synth-nmr

NMR spectroscopy calculations for protein structures. Jupyter Notebook tutorials are available to visualize the concepts.

10K 2 0

mrsimulator

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

2K 47 14

chemex

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

2K 38 19

dnplab

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

2K 10 6

synth-dynamics

Fast Langevin dynamics engine using the Anisotropic Network Model (ANM) for rapid protein conformational ensemble generation.

1K 1 0

klassez

A package for the management of NMR data

887 1 0

nmrsim

A Python library for NMR simulation

813 29 9

magnetstein

Tools for quantitative analysis of nuclear magnetic resonance (NMR) spectra using the Wasserstein metric.

744 10 5

penguins

A Python 3 package for analysing and plotting NMR spectra.

530 6 2

pycoilgen

Magnetic Field Coil Generator for Python, ported from CoilGen

518 25 11

spike-py

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

368 21 7

xmris

An xarray-based MRI and MRS toolbox.

352 4 1

pynmranalysis

A Python Toolbox for preprocessing and analysing NMR data

331 4 1

simpyson

A python interface to Simpson

326 4 4

nmrformd

NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.

321 25 8

pycoilgen-data

Magnetic Field Coil Generator for Python, ported from CoilGen

303 25 11

nmrstarlib

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

295 5 1

pyamares

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

294 7 2

pyb12mps

Python package to control Bridge12 MPS

246 1 2

mrinversion

Linear inversion of two-dimensional isotropic-anisotropic NMR correlation spectrum.

246 8 2

flintpy-nmr

Python implementation of FLINT algorithm for NMR relaxation data.

243 4 0

pycoilgen-utils

Extra utilities for pyCoilGen, the Open Source Magnetic Resonance Coil Generator.

157 25 11