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• PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction Prediction Model for Binding Affinity Scoring and Virtual Screening
  2023 · 44 citations
• Molecular generative model based on conditional variational autoencoder for de novo molecular design
  2018 · 24 citations
• Uncertainty quantification of molecular property prediction with Bayesian neural networks
  2019 · 15 citations
• Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks
  2019 · 5 citations
• Molecular Generative Model Based On Adversarially Regularized Autoencoder
  2019
• Fragment-based molecular generative model with high generalization ability and synthetic accessibility
  2021