14 citations · 21 across the 18 of their papers we have counts for
8 papers · 1 filter
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…
SMILES-Prompting: A Novel Approach to LLM Jailbreak Attacks in Chemical Synthesis
Aidan Wong, He Cao, Zijing Liu +1
The increasing integration of large language models (LLMs) across various fields has heightened concerns about their potential to propagate dangerous information. This paper specif…
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…
ControlMol: Adding Substructure Control To Molecule Diffusion Models
Qi Zhengyang, Liu Zijing, Zhang Jiying +2
Due to the vast design space of molecules, generating molecules conditioned on a specific sub-structure relevant to a particular function or therapeutic target is a crucial task in…
MoleculeQA: A Dataset to Evaluate Factual Accuracy in Molecular Comprehension
Xingyu Lu, He Cao, Zijing Liu +5
Large language models are playing an increasingly significant role in molecular research, yet existing models often generate erroneous information, posing challenges to accurate mo…
Protein Multimer Structure Prediction via Prompt Learning
Ziqi Gao, Xiangguo Sun, Zijing Liu +3
Understanding the 3D structures of protein multimers is crucial, as they play a vital role in regulating various cellular processes. It has been empirically confirmed that the mult…