Property prediction is a common practice in many chemistry applications. In drug discovery, typical examples are the prediction of biological activities and binding modes of molecules with molecular targets . To this aim, it has been recognized that consensus predictions and ensemble models usually perform better than single predictors. As such, ensemble models have become quite common. In the realm of predicting binding poses and simulating protein-ligand interactions, consensus docking has been largely admitted, in general, outperforming single docking approaches . Similarly, several studies have shown that there is not a single docking protocol that is "the best" across a broad range of molecular targets. It often happens that a given docking protocol works well for a given receptor family and, again, consensus docking is a more reliable alternative to a single docking software or protocol.