We’ve done a lot of code development in FAH, using FAH’s power to make advances in the science of how molecules are simulated. We are working now to give these advances back to the broader community. One key way we plan to do this is via OpenMM, an open API and library for molecular mechanics (see https://simtk.org/home/openmm for more details).
One of the key facets of OpenMM is hardware acceleration and in this way, one can make an analogy to OpenGL. Before OpenGL, there were many different hardware platforms and different platforms supported different software. With a single API, all hardware vendors could support the same API and all software programmers could use that single API. We’re hoping to do the same for molecular mechanics.
This work would come from the Simbios center at Stanford University, a National Center for Biomedical Computing funded by the National Institutes of Health.