3 citations · 6 across the 12 of their papers we have counts for
6 papers · 1 filter
ProteinOPD: Towards Effective and Efficient Preference Alignment for Protein Design
Yulin Zhang, He Cao, Zihao Jiang +6
Designing proteins with desired functions or properties represents a core goal in synthetic biology and drug discovery. Recent advances in protein language models (PLMs) have enabl…
From Static Structures to Ensembles: Studying and Harnessing Protein Structure Tokenization
Zijing Liu, Bin Feng, He Cao +1
Protein structure tokenization converts 3D structures into discrete or vectorized representations, enabling the integration of structural and sequence data. Despite many recent wor…
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…
Parameter-Efficient Fine-Tuning via Circular Convolution
Aochuan Chen, Jiashun Cheng, Zijing Liu +4
Low-Rank Adaptation (LoRA) has gained popularity for fine-tuning large foundation models, leveraging low-rank matrices and to represent weight changes (i.…
PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes
He Cao, Yanjun Shao, Zhiyuan Liu +4
Multimodal Large Language Models (MLLMs) have seen growing adoption across various scientific disciplines. These advancements encourage the investigation of molecule-text modeling…
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…