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40 积分 2025-11-09 加入
Equivariant message passing for the prediction of tensile properties and catalytic activity
1个月前
已关闭
Isolated Carbon(I) Species Featuring a Carbone Cation Radical
6个月前
已完结
Enhancing Activation Energy Predictions under Data Constraints Using Graph Neural Networks
6个月前
已完结
Local environment interaction-based machine learning framework for predicting molecular adsorption energy
6个月前
已关闭
Efficient catalyst screening using graph neural networks to predict strain effects on adsorption energy
6个月前
已完结
Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks
6个月前
已完结
Collaborative neural networks-accelerated prediction of transition state energy barriers for CO catalytic oxidation
7个月前
已完结
Enhancing Activation Energy Predictions under Data Constraints Using Graph Neural Networks
7个月前
已完结
HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions
7个月前
已完结
Advancements in Machine Learning Predicting Activation and Gibbs Free Energies in Chemical Reactions
7个月前
已完结
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