<ul><li>Compositional Generative Flows (CGFlow) is a framework introduced to generate objects in compositional steps while modeling continuous states.</li><li>It is an extension of flow matching interpolation process and utilizes the theoretical foundations of generative flow networks (GFlowNets).</li><li>CGFlow is applied in synthesizable drug design to jointly design the molecule's synthetic pathway with its 3D binding pose.</li><li>The method achieves state-of-the-art binding affinity and improved sampling efficiency compared to a 2D synthesis-based baseline.</li></ul>

Compositional Flows for 3D Molecule and Synthesis Pathway Co-design

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