An integrated quantum mechanics-machine learning approach for ultra-fast NMR structural elucidation.
Project description
ML_JDP4 Package
An integrated quantum mechanics-machine learning approach for ultra-fast NMR structural elucidation
Authors: María M. Zanardi & Ariel M. Sarotti
Usage: ml_jdp4
for more information see ml_jdp4 manual in pdf file
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ml-jdp4-1.3.1.tar.gz
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