Python-first laboratory for open quantum systems, Na-23 NMR, quantum control, tomography, and noise spectroscopy.

A user-friendly python library for simulating NMR signals using the Extended Phase Graph (EPG) formalism.

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

PyMOL plugin to modify molecular structure via turnstile rotation

A GUI application designed to facilitate PCS analysis from NMR and molecular structure data

An xarray-based MRI and MRS toolbox.

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

Data for magnetstein paper & web application. For more info see: https://github.com/BDomzal/magnetstein.

Web apps using streamlit mostly for NMR related calculations.

Employing Magnetstein for the analysis of chemical reactions.

Pulsed NMR relaxation analysis with echo detection, T1/T2 fitting, and uncertainty estimates in Python.

A package for the management of NMR data

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

A centralized monitoring system for NMR facilities that tracks helium levels and pressures across multiple Bruker spectrometers

Physically constrained multi-slice NMR fitting framework with parameter linking and statistical evaluation.

Python package for processing Fourier-transformed NMR spectra - migrated from R nmr.spectra.processing (v0.1.6)

Magnetic Field Coil Generator for Python, ported from CoilGen

Data-driven AI solution to improve high-resolution nuclear magnetic resonance (NMR) spectra distorted by the inhomogeneous magnetic field (less than optimal shimming)

Calculation of Product Operator for Nuclear Magnetic Resonance Spectroscopy Using Python

This repository provides a Python implementation of the NapShift program to predict the backbone atoms' chemical shift values, from NMR protein PBD structures, using artificial neural networks.