← authors · overview

• Advanced Graph and Sequence Neural Networks for Molecular Property Prediction and Drug Discovery
  2020
• GraphDF: A Discrete Flow Model for Molecular Graph Generation
  2021
• DIG: A Turnkey Library for Diving into Graph Deep Learning Research
  2021
• Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks
  2021
• Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs
  2021
• Automated Data Augmentations for Graph Classification
  2022
• Generating 3D Molecules for Target Protein Binding
  2022
• 3D Molecular Geometry Analysis with 2D Graphs
  2023
• Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization
  2023
• Graph Structure and Feature Extrapolation for Out-of-Distribution Generalization
  2023
• Geometry Informed Tokenization of Molecules for Language Model Generation
  2024