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AI-enhanced computational chemistry

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Author: Baoxin Xue

MLatom gets GUI

By Baoxin Xue Posted on September 30, 2021 Posted in Featured Publication, News
MLatom gets GUI

Tutorial and download link

MLatom 1.2: ML absorption spectra

By Baoxin Xue Posted on November 20, 2020 Posted in Featured Publication, News Tagged with release
MLatom 1.2: ML absorption spectra

Bao-Xin Xue, Mario Barbatti, Pavlo O. Dral, Machine Learning for Absorption Cross Sections, J. Phys. Chem. A 2020, 124, 7199–7210. DOI: 10.1021/acs.jpca.0c05310. Read more ›

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