Scaffold-based molecular design using graph generative model. - Jaechang Lim; Sang-Yeon Hwang; Seungsu Kim; Seokhyun Moon; Woo Youn Kim (CoRR, 2019)

PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions. - Seokhyun Moon; Wonho Zhung; Soojung Yang; Jaechang Lim; Woo Youn Kim (CoRR, 2020)

GeoTMI: Predicting Quantum Chemical Property with Easy-to-Obtain Geometry via Positional Denoising. - Hyeonsu Kim; Jeheon Woo; Seonghwan Kim 004; Seokhyun Moon; Jun Hyeong Kim; Woo Youn Kim (NeurIPS, 2023)

Predicting quantum chemical property with easy-to-obtain geometry via positional denoising. - Hyeonsu Kim; Jeheon Woo; Seonghwan Kim 004; Seokhyun Moon; Jun Hyeong Kim; Woo Youn Kim (CoRR, 2023)

PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction Prediction Model for Binding Affinity Scoring and Virtual Screening. - Seokhyun Moon; Sang-Yeon Hwang; Jaechang Lim; Woo Youn Kim (CoRR, 2023)

Discrete Diffusion Schrödinger Bridge Matching for Graph Transformation. - Jun Hyeong Kim; Seonghwan Kim 004; Seokhyun Moon; Hyeongwoo Kim; Jeheon Woo; Woo Youn Kim (ICLR, 2025)