Finally, the user can further increase accuracy by using the so-called grid method, where ROSHAMBO will perform numerical integration by quadrature over a grid of a specific resolution. In practice, internal testing has indicated that the second-order analytic approximation gives the best balance between speed and accuracy, but the options remained exposed in ROSHAMBO's API to allow for user customization. ROSHAMBO also includes a helpful 2D pharmacophore visualization function, shown in Figure , which allows users to quickly visualize the color of their molecules. This is useful for both interpreting color scores and for debugging custom color definition files. Finally, we also provide multiple analysis modules to help evaluate ROSHAMBO's performance on pre-labelled datasets, like the ones presented in the Benchmarking section of this work.