Distributions of GNINA (e) scores for unique samples generated by DiffLinker conditioned (green, n =485) and unconditioned (blue, n = 166 for GNINA (e) after removing outliers) on the target pocket. Red solid line depicts the score of the reference inhibitor reported in ref. 20. Magenta dashed lines represent scores for three DiffLinker samples that recover the reference inhibitor. For GNINA scores, higher values represent higher affinities.
