Author

Aaron G. Garrison

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Jun 2026

ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification Across the Periodic Table

The ElemeNet software package enables the training of advanced ML models for diverse properties and datasets with an enlarged range of elemental compositions, and introduces moiety predictions, a unified, general-purpose software package for molecular machine learning.

Jacob W. Toney, S. Darouich, Yiran Wang et al. · arXiv.org · 0 citations