ElemeNet is a unified ML software package for molecular property prediction across elements 1-100 with built-in uncertainty quantification and competitive benchmarks on diverse chemistry datasets.
P.; Liu, F.; Nandy, A.; Kulik, H
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ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification Across the Periodic Table
ElemeNet is a unified ML software package for molecular property prediction across elements 1-100 with built-in uncertainty quantification and competitive benchmarks on diverse chemistry datasets.