MolPilot optimizes the variational lower bound over joint continuous/discrete noise schedules in Bayesian Flow Networks for protein-ligand generation, improving PoseBusters validity on CrossDock and PoseBusters benchmarks.
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Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule
MolPilot optimizes the variational lower bound over joint continuous/discrete noise schedules in Bayesian Flow Networks for protein-ligand generation, improving PoseBusters validity on CrossDock and PoseBusters benchmarks.