Lv1
100 积分 2023-07-02 加入
Accurate learning of long-range interatomic potentials by coupling Cartesian atomic cluster expansion and sum-of-Gaussians neural networks
4个月前
已完结
Prediction of local electric polarization using graph neural networks
5个月前
已完结
Physics-informed time-reversal equivariant neural network potential for magnetic materials
5个月前
已完结
Accelerating Many-Body Quantum Chemistry via Generative Transformer-Enhanced Configuration Interaction
5个月前
已完结
Insights into electrolyte reactivity at the Li metal surface from density functional theory
6个月前
已完结
Sampling and Ranking of Protein Conformations Using Machine Learning Techniques Do Not Improve the Quality of Rigid Protein–Protein Docking
8个月前
已完结
Pharmacophore-oriented 3D molecular generation toward efficient feature-customized drug discovery
8个月前
已完结
Electron flow matching for generative reaction mechanism prediction obeying conservation laws
8个月前
已完结
AI-Designed Molecules in Drug Discovery, Structural Novelty Evaluation, and Implications
9个月前
已完结
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