MolJO applies joint gradient guidance to Bayesian Flow Networks, achieving state-of-the-art success rate (51.3%) in structure-based molecule optimization on CrossDocked2020.
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Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks
MolJO applies joint gradient guidance to Bayesian Flow Networks, achieving state-of-the-art success rate (51.3%) in structure-based molecule optimization on CrossDocked2020.