SMART descriptors computed trhough SMARTpy were shown to perform comparably to the original UCSF Chimera implementation. VCAVITY and proxVCAVITY are well correlated between the two methods (Figure ). Two outliers are observed that are not well correlated due to the number of probe conformers comprising the cavity ensemble. SMART descriptors calculated on sparse ensembles are more variable and dependent upon the conformation of the probe. The reduction of cavity featurization to a single conformer also eliminated the generality of the pocket information, as this conformer is more representative of where the molecular probe can go as opposed to a substrate.