Lv1
96 积分 2024-08-24 加入
Extending atomic decomposition and many-body representation with a chemistry-motivated approach to machine learning potentials
6小时前
待确认
Decoupled peak property learning for efficient and interpretable electronic circular dichroism spectrum prediction
2天前
已完结
DTMol: Pocket-based Molecular Docking using Diffusion Transformers
6天前
已完结
The role of quantum mechanics in structure-based drug design
8天前
已完结
A deep learning approach for rational ligand generation with toxicity control via reactive building blocks
19天前
已完结
Approaching coupled-cluster accuracy for molecular electronic structures with multi-task learning
1个月前
已完结
Quantum mechanical-based strategies in drug discovery: Finding the pace to new challenges in drug design
1个月前
已完结
Ising machines as hardware solvers of combinatorial optimization problems
2个月前
已完结
In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back
2个月前
已完结
AsthmaKGxE: An asthma–environment interaction knowledge graph leveraging public databases and scientific literature
3个月前
已完结
皖公网安备34019202002308
