activity
20232026
most citedInstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery

14 citations · 17 across the 5 of their papers we have counts for

collaborators

5 papers

cs.AI2026

Phi-Former: A Pairwise Hierarchical Approach for Compound-Protein Interactions Prediction

Zhe Wang, Zijing Liu, Chencheng Xu +1

Drug discovery remains time-consuming, labor-intensive, and expensive, often requiring years and substantial investment per drug candidate. Predicting compound-protein interactions…

cs.AI2024

Dynamic Guided and Domain Applicable Safeguards for Enhanced Security in Large Language Models

Weidi Luo, He Cao, Zijing Liu +5

With the extensive deployment of Large Language Models (LLMs), ensuring their safety has become increasingly critical. However, existing defense methods often struggle with two key…

cs.LG2024

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…

cs.CL2024★ 3 cited

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…

q-bio.BM2023★ 14 cited

InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery

He Cao, Zijing Liu, Xingyu Lu +2

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in…