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60 积分 2024-08-24 加入
Atomic cluster expansion for accurate and transferable interatomic potentials
5小时前
待确认
Adding charge to neural network potentials
6天前
已完结
ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design
6天前
已完结
Deep contrastive learning of molecular conformation for efficient property prediction
6天前
已完结
General reactive element-based machine learning potentials for heterogeneous catalysis
19天前
已完结
Unified deep learning framework for many-body quantum chemistry via Green’s functions
1个月前
已完结
Discovery of Potent and Selective Pyrrolo[2,3-d]Pyrimidine-Based Aurora A Inhibitors with Demonstrated Efficacy against Patient-Derived Gastric Cancer Organoids
1个月前
已完结
Predicting adverse drug reactions for combination pharmacotherapy with cross-scale associative learning via attention modules
1个月前
已完结
Comparative Killing Kinetics of Methicillin-Resistant <i>Staphylococcus aureus</i> by Bacitracin or Mupirocin
1个月前
已完结
Kolmogorov–Arnold graph neural networks for molecular property prediction
2个月前
已完结
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