C&EN

Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials

Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213, United States Department of Chemistry, Carnegie Mellon University, 5000 ...
Frontiers

A scalable neural network emulator with MRAM-based mixed-signal circuits

In this study, we present a mixed-signal framework that utilizes MRAM (Magneto-resistive Random Access Memory) technology to emulate behaviors observed in biological neural networks on silicon ...
C&EN

DeePMD-GNN: A DeePMD-kit Plugin for External Graph Neural Network Potentials

Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United ...
Frontiers

Molecular Subtyping of Cancer Based on Robust Graph Neural Network and Multi-Omics Data Integration

Accurate molecular subtypes prediction of cancer patients is significant for personalized cancer diagnosis and treatments. Large amount of multi-omics data and the advancement of data-driven methods ...