As we enter the era of gravitational wave astronomy, we are beginning to collect observations which will enable us to explore aspects of astrophysics of massive stellar binaries which were previously beyond reach. In this paper we describe COMPAS (Compact Object Mergers: Population Astrophysics and Statistics), a new platform to allow us to deepen our understanding of isolated binary evolution and the formation of gravitational-wave sources. We describe the computational challenges associated with their exploration, and present preliminary results on overcoming them using Gaussian process regression as a simulation emulation technique.