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

CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

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

Quantitative NMR analysis through least-squares fit of spectroscopy data

energetic sorting of conformer rotamer ensembles

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

A software for ssnmr shield tensors calculations based on GIPAW method, Visualization of theoretical and experimental spectra, Conformer Generator with Genetic Algorithm and Boltzmann Probability of conformers.

A Python 3 package for analysing and plotting NMR spectra.

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

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

A python library and command line program for plotting simulated 2D and 3D NMR spectra from assigned chemical shifts from the BMRB

A python interface for SIMPSON

A very simple Python script to generate a normal X/Y csv file from a Bruker TopSpin® .txt file

Mint your own NMR spectra from scratch! (version 0.3.1 beta)

MultiNMRFit: A software to fit 1D and pseudo-2D NMR spectra

A TopSpin-compatible NMR package for Parameter Optimisation by Iterative Spectral Evaluation

Collection of data processing functions for 1D and 2D NMR data.

Extract signals from J-resolved NMR spectra (Cox et al., 2020)

Search for new PDB structures corresponding to a search term and deposited after a certain date.

Study of molecular motion of Glycerol using NMR modeling and simulations