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• Pre-training Molecular Graph Representation with 3D Geometry
  2021 · 156 citations
• N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
  2018 · 78 citations
• Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning
  2020 · 43 citations
• TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery
  2022 · 32 citations
• MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design
  2022 · 27 citations
• GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning
  2023 · 24 citations
• A Text-guided Protein Design Framework
  2023 · 23 citations
• Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editing
  2022 · 22 citations
• Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching