mpds_ml_props_31122018.json (521.8 MB)
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Quantitative trends in 8 properties of inorganic compounds via machine learning

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posted on 08.02.2019, 00:30 authored by Evgeny BlokhinEvgeny Blokhin, Pierre Villars
For the 114'872 distinct inorganic compounds we predicted 8 thermodynamic, mechanical, and electronic properties, using the only crystalline structures as an input.