READ couples contrastively aligned latent diffusion with pocket-similarity retrieval to generate 3D ligands, reporting Rank 1 on CBGBench and lower Vina energies than native ligands.
PocketFlow is a data- and knowledge-driven structure-based molecular generative model
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Reimagining Target-Aware Molecular Generation through Retrieval-Enhanced Aligned Diffusion
READ couples contrastively aligned latent diffusion with pocket-similarity retrieval to generate 3D ligands, reporting Rank 1 on CBGBench and lower Vina energies than native ligands.