57 citations · 99 across the 12 of their papers we have counts for
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q-bio.BM2024★ 1 cited
Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models
Cong Fu, Xiner Li, Blake Olson +2
Structure-based drug design (SBDD) is crucial for developing specific and effective therapeutics against protein targets but remains challenging due to complex protein-ligand inter…
cs.LG2024★ 1 cited
SineNet: Learning Temporal Dynamics in Time-Dependent Partial Differential Equations
Xuan Zhang, Jacob Helwig, Yuchao Lin +4
We consider using deep neural networks to solve time-dependent partial differential equations (PDEs), where multi-scale processing is crucial for modeling complex, time-evolving dy…
cs.LG2024★ 6 cited
Complete and Efficient Graph Transformers for Crystal Material Property Prediction
Keqiang Yan, Cong Fu, Xiaofeng Qian +2
Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crys…