Lv11
8 积分 2024-12-02 加入
A Universal Augmentation Framework for Long-Range Electrostatics in Machine Learning Interatomic Potentials
5小时前
已完结
LoreX: A Low-Energy Region Explorer Boosts Efficient Crystal Structure Prediction
1个月前
已完结
Benchmarking DFT and semiempirical methods on structures and lattice energies for ten ice polymorphs
2个月前
已完结
Global machine learning potentials for molecular crystals
2个月前
已完结
Flexible protein–ligand docking with diffusion-based side-chain packing
2个月前
已完结
Pharmaceutical Solids: A Strategic Approach to Regulatory Considerations
5个月前
已完结
Crystalline solids
5个月前
已完结
Solubility and stability of anhydrate/hydrate in solvent mixtures
5个月前
已完结
High-throughput screening of thermodynamically stable molecular crystal forms using crystal structure prediction method based on deep graph neural network
5个月前
已关闭
Machine learning with quantum chemistry descriptors: predicting the solubility of small-molecule optoelectronic materials for organic solar cells
6个月前
已完结
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