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Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation., , , , , , , , , and 7 other author(s). CoRR, (2024)Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge., , , , , , , and . ICML, OpenReview.net, (2024)ResGen is a pocket-aware 3D molecular generation model based on parallel multiscale modelling., , , , , , , , , and 4 other author(s). Nat. Mac. Intell., 5 (9): 1020-1030 (September 2023)Rethinking the Diffusion Models for Numerical Tabular Data Imputation from the Perspective of Wasserstein Gradient Flow., , , , , , , and . CoRR, (2024)GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation., , , , , , , and . ICML, OpenReview.net, (2024)PPFLOW: Target-Aware Peptide Design with Torsional Flow Matching., , , , , , , and . ICML, OpenReview.net, (2024)Efficient and accurate large library ligand docking with KarmaDock., , , , , , , , , and 9 other author(s). Nat. Comput. Sci., 3 (9): 789-804 (2023)CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph., , , , , , , , , and . CoRR, (2024)Protein 3D Graph Structure Learning for Robust Structure-Based Protein Property Prediction., , , , , , , , , and . AAAI, page 12662-12670. AAAI Press, (2024)Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration., , , , , , , and . NeurIPS, (2023)