nmr-spectroscopy topic

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

spectrochempy

Open source Earth's Field NMR Spectrometer

geekysuavo

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

simongravelle

The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.

rformassspectrometry

CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

grimme-lab

Visualization and Analysis of mass spectrometric and chromatographic data.

OpenChrom

React component to display and process nuclear magnetic resonance (NMR) spectra.

cheminfo

PaddleMaterials is a data-mechanism dual-driven, foundation model development and deployment, end to end toolkit based on PaddlePaddle deep learning framework for materials science and engineering.

PaddlePaddle

Library for processing of chemistry related files (aiming at spectroscopy and structural files)

JensKrumsieck