Software
From COLMAR Metabolomics Web Portal:
- Covariance programs: (nmrPipe au)
- DEEP Picker: a deep neural network for accurate deconvolution of complex NMR spectra
- PPM: an ensemble based chemical shifts predictor
- Structure based backbone NH and methyl group order parameter predictor
Other Software:
- ChemEx: Program for analysis of relaxation dispersion and CEST data via exact numerical integration of experiments (developed in collaboration with Guillaume Bouvignies from French National Centre for Scientific Research)
- GUARDD: a versatile software for NMR relaxation dispersion analysis (developed by Prof. Foster's group)
- Nmrglue: a module for working with NMR data in Python (developed by Jonathan Helmus from Prof. Jaroniec's group)
- 4D covariance program in matlab (download link) (provided by Prof. Yang's group at National University of Singapore)