4 citations · 9 across the 10 of their papers we have counts for
6 papers · 1 filter
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
Nayoung Kim, Seongsu Kim, Minsu Kim +2
Metal-organic frameworks (MOFs) are a class of crystalline materials with promising applications in many areas such as carbon capture and drug delivery. In this work, we introduce…
Generative Flows on Synthetic Pathway for Drug Design
Seonghwan Seo, Minsu Kim, Tony Shen +4
Generative models in drug discovery have recently gained attention as efficient alternatives to brute-force virtual screening. However, most existing models do not account for synt…
Improved Off-policy Reinforcement Learning in Biological Sequence Design
Hyeonah Kim, Minsu Kim, Taeyoung Yun +4
Designing biological sequences with desired properties is challenging due to vast search spaces and limited evaluation budgets. Although reinforcement learning methods use proxy mo…
Ant Colony Sampling with GFlowNets for Combinatorial Optimization
Minsu Kim, Sanghyeok Choi, Hyeonah Kim +3
We present the Generative Flow Ant Colony Sampler (GFACS), a novel meta-heuristic method that hierarchically combines amortized inference and parallel stochastic search. Our method…
Decoupled Sequence and Structure Generation for Realistic Antibody Design
Nayoung Kim, Minsu Kim, Sungsoo Ahn +1
Recently, deep learning has made rapid progress in antibody design, which plays a key role in the advancement of therapeutics. A dominant paradigm is to train a model to jointly ge…
Genetic-guided GFlowNets for Sample Efficient Molecular Optimization
Hyeonah Kim, Minsu Kim, Sanghyeok Choi +1
The challenge of discovering new molecules with desired properties is crucial in domains like drug discovery and material design. Recent advances in deep learning-based generative…