Results 151 to 160 of about 15,495,898 (198)

Transferability of MACE Graph Neural Network for Range Corrected Δ-Machine Learning Potential QM/MM Applications. [PDF]

J Phys Chem B
Giese TJ, Zeng J, York DM.
europepmc   +1 more source

Convolutional Kernel-Embedded E (3)-Equivariant Networks (KEN): Overcoming Architectural Rigidity in Machine Learning Interatomic Potentials

Gautam Jha
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Multi-omics and machine learning-driven identification of PTM-related potential biomarkers and therapeutic insights in MASLD [PDF]

Qingrong Yao, Xuan Zhong, Jiawei Chen, Wenbin An, Jiamian Wang, Hong Tang, Zhenyu Liu, Jiajia Chen, Lina Zhao, Sha Li, Liying Shi, Bei Zhang   +11 more
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Revisiting Aspirin Polymorphic Stability Using a Machine Learning Potential. [PDF]

ACS Omega
Hattori S, Zhu Q.
europepmc   +1 more source

Analytical ab initio hessian from a deep learning potential for transition state optimization. [PDF]

Nat Commun
Yuan EC, Kumar A, Guan X, Hermes ED, Rosen AS, Zádor J, Head-Gordon T, Blau SM.   +7 more
europepmc   +1 more source

Explainable Sequence-Aware Deep Learning Framework for Potential Zero-Day Attack Detection and Cross-Domain Generalization in Enterprise Network Intrusion Detection [PDF]

Nwankwo Samuel, Obi Nwokonkwo, Charles Ikerionwu, Udoka Felista Eze, Adetokunbo MacGregor John-Otumu   +4 more
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Machine Learning Potential for Identifying and Forecasting Complex Environmental Drivers of <i>Vibrio vulnificus</i> Infections in the United States. [PDF]

Environ Health Perspect
Campbell AM, Cabrera-Gumbau JM, Trinanes J, Baker-Austin C, Martinez-Urtaza J.   +4 more
europepmc   +1 more source

Unraveling individual differences in learning potential: A dynamic framework for the case of reading development. [PDF]

Dev Cogn Neurosci
Bonte M, Brem S.
europepmc   +1 more source

An investigation into the potential role of a virtual learning environment for visually impaired adults

Paul Lynch
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Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential. [PDF]

Nat Chem
Zhang S, Makoś MZ, Jadrich RB, Kraka E, Barros K, Nebgen BT, Tretiak S, Isayev O, Lubbers N, Messerly RA, Smith JS.   +10 more
europepmc   +1 more source