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cs.LG2026
Toward Better Geometric Representations for Molecule Generative Models
Shaoheng Yan, Zian Li, Cai Zhou +3
Geometric representation-conditioned molecule generation provides an effective paradigm that decouples molecule representation modeling from structure generation. By decoupling mol…
cs.LG2026
FlashMol: High-Quality Molecule Generation in as Few as Four Steps
Xinyuan Wei, Zian Li, Shaoheng Yan +2
Generating chemically valid 3D molecular conformations is critical for computational drug discovery. Classical diffusion-based models like GeoLDM perform well but require hundreds…