Lv6
2340 积分 2023-11-14 加入
Transfer learning for solvation free energies: From quantum chemistry to experiments
2天前
已完结
Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning
8天前
已完结
Using Deep Graph Neural Networks Improves Physics-Based Hydration Free Energy Predictions Even for Molecules Outside of the Training Set Distribution
25天前
已完结
Counting the number of first layer solvation layer solvent molecules
25天前
已完结
Enthalpies of aqueous solution of noble gases at 25�C
25天前
已完结
Rapid Prediction of Solvation Free Energy. 2. The First-Shell Hydration (FiSH) Continuum Model
1个月前
已完结
Pooling solvent mixtures for solvation free energy predictions
1个月前
已完结
Five-molecule water clusters show liquid-like properties
1个月前
已关闭
Large language models for scientific discovery in molecular property prediction
1个月前
已完结
Large language models for scientific discovery in molecular property prediction
1个月前
已完结
皖公网安备34019202002308
