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cs.LG2024
Efficient Antibody Structure Refinement Using Energy-Guided SE(3) Flow Matching
Jiying Zhang, Zijing Liu, Shengyuan Bai +3
Antibodies are proteins produced by the immune system that recognize and bind to specific antigens, and their 3D structures are crucial for understanding their binding mechanism an…
cs.LG2024
SubGDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning
Jiying Zhang, Zijing Liu, Yu Wang +1
Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure o…