arxivphysics.chem-phcs.LG2026-06-29
ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification Across the Periodic Table
Jacob W. Toney, Samir Darouich, Yiran Wang, Aaron G. Garrison, Johannes Kästner, Heather J. Kulik
Advances in deep learning architectures and representations have enabled ML-driven chemical property prediction, but state-of-the-art (SOTA) models have remained largely confined to independent codebases and lack support for diverse chemical species. This work introduces ElemeNet…