3 citations · 9 across the 8 of their papers we have counts for
3 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…
Predicting Density of States via Multi-modal Transformer
Namkyeong Lee, Heewoong Noh, Sungwon Kim +3
The density of states (DOS) is a spectral property of materials, which provides fundamental insights on various characteristics of materials. In this paper, we propose a model to p…