Fig. 3: Comparison of the distributions of all-atom pairs distance for the PDBbind dataset. | Nature Communications

Fig. 3: Comparison of the distributions of all-atom pairs distance for the PDBbind dataset.

From: Target-aware 3D molecular generation based on guided equivariant diffusion

Fig. 3

a ResGen, (b) PocketFlow, (c) GCDM, (d) TargetDiff, (e) DiffSBDD, (f) PMDM, (g) DiffGui. The reference molecules and generated molecules are depicted by gray and colored lines, respectively. Jensen-Shannon divergence of all-atom pairs distance within 12.0 Å (JS. All_12A) is listed at the top of each sub-figure. Source data are provided as a Source Data file.

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