publications

publications by categories in reversed chronological order. generated by jekyll-scholar.

2025

  1. ICLR Workshop
    Compositional Flows for 3D Molecule and Synthesis Pathway Co-design
    Tony Shen*, Seonghwan Seo*, Ross Irwin, and 4 more authors
    Under conference submission, ICLR GEM and AI4MAT workshop, 2025
  2. ICLR
    Generative Flows on Synthetic Pathway for Drug Design
    Seonghwan Seo, Minsu Kim, Tony Shen, and 4 more authors
    International Conference on Learning Representations (ICLR), 2025

2024

  1. TMLR
    TacoGFN: Target Conditioned GFlowNet for Structure-Based Drug Design
    Tony Shen, Seonghwan Seo, Grayson Lee, and 5 more authors
    Transactions on Machine Learning Research (TMLR), 2024
  2. MoML
    Geometric-informed GFlowNets for Structure-Based Drug Design
    Grayson Lee, Tony Shen, and Martin Ester
    Molecular Machine Learning Conference (MoML) Spotlight, 2024