21 citations · 99 across the 21 of their papers we have counts for
5 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…
Protein-Mamba: Biological Mamba Models for Protein Function Prediction
Bohao Xu, Yingzhou Lu, Yoshitaka Inoue +3
Protein function prediction is a pivotal task in drug discovery, significantly impacting the development of effective and safe therapeutics. Traditional machine learning models oft…
Debiased Graph Poisoning Attack via Contrastive Surrogate Objective
Kanghoon Yoon, Yeonjun In, Namkyeong Lee +2
Graph neural networks (GNN) are vulnerable to adversarial attacks, which aim to degrade the performance of GNNs through imperceptible changes on the graph. However, we find that in…
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…