Lv31
290 积分 2022-12-07 加入
Approaching coupled-cluster accuracy for molecular electronic structures with multi-task learning
29天前
已完结
Machine learning approaches for transition state prediction
2个月前
已关闭
Evidence for Polymorphism in the Canine Metabolism of the Cyclooxygenase 2 Inhibitor, Celecoxib
3个月前
已关闭
Organic thermoelectric materials for energy harvesting and temperature control
5个月前
已完结
A universal graph deep learning interatomic potential for the periodic table
6个月前
已完结
Simultaneously improving reaction coverage and computational cost in automated reaction prediction tasks
1年前
已完结
Understanding the solvation structures of glyme-based electrolytes by machine learning molecular dynamics
1年前
已完结
A universal graph deep learning interatomic potential for the periodic table
2年前
已完结
A transferable recommender approach for selecting the best density functional approximations in chemical discovery
2年前
已完结
Structure prediction and materials design with generative neural networks
2年前
已完结
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