2 citations · 3 across the 4 of their papers we have counts for
5 papers
RetroPlanner: Multi-Route Expansion and Multi-Objective Reasoning for LLM-Based Retrosynthesis Planning
Ye Rin Kim, Yongjun Jeong, Seongjun Yun +4
Multi-step retrosynthesis planning is often considered solved once a route to purchasable starting materials is found, but such a route should also be practical in real-world chemi…
RetroReasoner: A Reasoning LLM for Strategic Retrosynthesis Prediction
Hanbum Ko, Chanhui Lee, Ye Rin Kim +4
Retrosynthesis prediction aims to identify reactants that can synthesize a given product molecule. Although molecular large language models (LLMs) have recently shown promising res…
Score-informed Neural Operator for Enhancing Ordering-based Causal Discovery
Jiyeon Kang, Songseong Kim, Chanhui Lee +6
Ordering-based approaches to causal discovery identify topological orders of causal graphs, providing scalable alternatives to combinatorial search methods. Under the Additive Nois…
Mol-LLM: Multimodal Generalist Molecular LLM with Improved Graph Utilization
Chanhui Lee, Hanbum Ko, Yuheon Song +6
Recent advances in large language models (LLMs) have led to models that tackle diverse molecular tasks, such as chemical reaction prediction and molecular property prediction. Larg…
Scalable Multi-Task Transfer Learning for Molecular Property Prediction
Chanhui Lee, Dae-Woong Jeong, Sung Moon Ko +6
Molecules have a number of distinct properties whose importance and application vary. Often, in reality, labels for some properties are hard to achieve despite their practical impo…