4 papers
INDIBATOR: Diverse and Fact-Grounded Individuality for Multi-Agent Debate in Molecular Discovery
Yunhui Jang, Seonghyun Park, Jaehyung Kim +1
Multi-agent systems have emerged as a powerful paradigm for automating scientific discovery. To differentiate agent behavior in the multi-agent system, current frameworks typically…
Structural Reasoning Improves Molecular Understanding of LLM
Yunhui Jang, Jaehyung Kim, Sungsoo Ahn
Recently, large language models (LLMs) have shown significant progress, approaching human perception levels. In this work, we demonstrate that despite these advances, LLMs still st…
Improving Chemical Understanding of LLMs via SMILES Parsing
Yunhui Jang, Jaehyung Kim, Sungsoo Ahn
Large language models (LLMs) are increasingly recognized as powerful tools for scientific discovery, particularly in molecular science. A fundamental requirement for these models i…
Can LLMs Generate Diverse Molecules? Towards Alignment with Structural Diversity
Hyosoon Jang, Yunhui Jang, Jaehyung Kim +1
Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However,…