The diversity and convergence of REINVENT-DockStream was investigated on a larger scale. Uniform Manifold Approximation and Projection (UMAP) was used as a dimensionality reduction technique to visualize the span of chemical space occupied by generated compounds compared to random sampling by the prior which has not been focused on any task (Fig. ). REINVENT using Glide with LigPrep against COX2 was performed in triplicate and visualized by reducing the Morgan fingerprints (radius 3, 1024 bits) of the top 1000 and 3000 proposed compounds to 2D. It is evident that the random sampling of molecules from the ChEMBL dataset occupies a single cluster (Fig. ). In contrast, agent perceived benchmarking demonstrated that docking can be particularly sensitive to the receptor and docking parameters, whereby small modifications in the protocol can have an enormous impact on enrichment.