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Projects in Awesome Lists tagged with nmr-data

A curated list of projects in awesome lists tagged with nmr-data .

https://github.com/rformassspectrometry/metarbolomics-book

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

lc-ms lc-msms lcms metabolomics metabonomics multivariate-statistics nmr nmr-data nmr-spectroscopy r rstats

Last synced: 16 Nov 2024

https://github.com/quantori/structure-seer

The implementation, training and evaluation of a Structure Seer machine learning model designed for reconstruction of adjacency of a molecular graph from the labelling of its nodes.

cheminformatics graph graph-convolutional-network machine-learning ml molecular-graph molecular-graph-learning molecule molecule-generation nmr-data nmr-spectroscopy

Last synced: 19 Dec 2024

https://github.com/hbrmn/dypole

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

2d-nmr-data nmr nmr-data nmr-spectroscopy

Last synced: 25 Oct 2024