Speeds. Using the above-specified hardware and settings, ROSHAMBO averages 7.3 molecules/sec (440 conformers/sec) across the first 5 DUDE-Z targets. For industrial applications, ROSHAMBO is fast enough to be used at scale, especially when parallelized across many CPUs (easily done by setting the num threads variable in both the Python API and command line interface). The bottleneck in terms of computation time corresponds to calculating shape and color scores, a step that scales linearly with the number of CPUs. Scaling to 24 CPUs and 1 GPU, a user can screen 100,000 compounds (with 60 conformations each)