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• Deriving Neural Architectures from Sequence and Graph Kernels
  2017
• Junction Tree Variational Autoencoder for Molecular Graph Generation
  2018
• Learning Multimodal Graph-to-Graph Translation for Molecular Optimization
  2018
• Analyzing Learned Molecular Representations for Property Prediction
  2019
• Hierarchical Graph-to-Graph Translation for Molecules
  2019
• Hierarchical Generation of Molecular Graphs using Structural Motifs
  2020
• Improved Conditional Flow Models for Molecule to Image Synthesis
  2020
• Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design
  2021