arXiv Machine Learning By Jacob W. Toney, Samir Darouich, Yiran Wang, Aaron G. Garrison, Johannes K\"astner, Heather J. Kulik

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

Read the original on arXiv Machine Learning →

arXiv:2606. 30961v1 Announce Type: cross Abstract: 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.

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arXiv Machine Learning
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