8 citations · 18 across the 14 of their papers we have counts for
4 papers · 1 filter
3D Interaction Geometric Pre-training for Molecular Relational Learning
Namkyeong Lee, Yunhak Oh, Heewoong Noh +5
Molecular Relational Learning (MRL) is a rapidly growing field that focuses on understanding the interaction dynamics between molecules, which is crucial for applications ranging f…
Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert Knowledge
Heewoong Noh, Namkyeong Lee, Gyoung S. Na +1
While inorganic retrosynthesis planning is essential in the field of chemical science, the application of machine learning in this area has been notably less explored compared to o…
Vision Language Model is NOT All You Need: Augmentation Strategies for Molecule Language Models
Namkyeong Lee, Siddhartha Laghuvarapu, Chanyoung Park +1
Recently, there has been a growing interest among researchers in understanding molecules and their textual descriptions through molecule language models (MoLM). However, despite so…
Self-Explainable Temporal Graph Networks based on Graph Information Bottleneck
Sangwoo Seo, Sungwon Kim, Jihyeong Jung +2
Temporal Graph Neural Networks (TGNN) have the ability to capture both the graph topology and dynamic dependencies of interactions within a graph over time. There has been a growin…