SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
Visualization and Analysis of mass spectrometric and chromatographic data.
Open-source AI infrastructure for materials science
React component to display and process nuclear magnetic resonance (NMR) spectra.
Open source Earth's Field NMR Spectrometer
CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles
The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
A Nanofactory Roadmap 2: Improved Proposal for a Comprehensive Diamondoid Nanofactory Development Program
🤓 Official Code of Paper: NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers(KDD 2026)
Software for the prediction of DEER and PRE data from conformational ensembles.
Quantitative NMR analysis through least-squares fit of spectroscopy data
Tools for quantitative analysis of nuclear magnetic resonance (NMR) spectra using the Wasserstein metric.
read and convert any NMR file
energetic sorting of conformer rotamer ensembles
A wrapper around NMRium react component to enable seamless integration into third-party applications built on any modern framework.
My master thesis at D-CHAB (ETH Zürich) - Building a 25MHz NMR spectrometer
DNPLab - Bringing the power of Python to DNP-NMR Spectroscopy
R/Bioconductor Package - Interface to the Metabolomics Workbench RESTful API
To associate your repository with the nmr-spectroscopy topic, visit your repo's landing page and select "manage topics."