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Simulations can provide tremendous insight into the atomistic details of biological mechanisms, but micro- to millisecond timescales are historically only accessible on dedicated supercomputers. We demonstrate that cloud computing is a viable alternative that brings long-timescale processes within reach of a broader community. We used Google's Exacycle(More)
PixelCNN achieves state-of-the-art results in density estimation for natural images. Although training is fast, inference is costly, requiring one network evaluation per pixel; O(N) for N pixels. This can be sped up by caching activations, but still involves generating each pixel sequentially. In this work, we propose a parallelized PixelCNN that allows(More)
In the version of this Article originally published, Figure 4 displayed incorrectly drawn chemical structures for five of the ligands. The correct structures were, however, used in the calculations. The hemiaminal group previously depicted in compounds 2–4 should have been a β-amino alcohol, compound 7 contained an extra benzylic carbon and compound 8 had(More)
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