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• Unified 2D and 3D Pre-Training of Molecular Representations
  2022 · 50 citations
• Direct Molecular Conformation Generation
  2022 · 24 citations
• BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning
  2024 · 15 citations
• Retrosynthesis Prediction with Local Template Retrieval
  2023 · 12 citations
• De Novo Molecular Generation via Connection-aware Motif Mining
  2023 · 8 citations
• Re-evaluating Retrosynthesis Algorithms with Syntheseus
  2023 · 8 citations
• Retrosynthetic Planning with Dual Value Networks
  2023 · 5 citations
• FABind: Fast and Accurate Protein-Ligand Binding
  2023 · 4 citations
• SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction
  2022 · 3 citations
• SFM-Protein: Integrative Co-evolutionary Pre-training for Advanced Protein Sequence Representation
  2024 · 1 citations
• Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  2022
• MIN: Multi-channel Interaction Network for Drug-Target Interaction with Protein Distillation
  2024