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. Author manuscript; available in PMC: 2020 Jan 28.
Published in final edited form as: J Chem Inf Model. 2018 Dec 31;59(1):409–420. doi: 10.1021/acs.jcim.8b00761

Figure 7.

Figure 7.

SOR speedup of GPU runs over CPU runs for the protein test set. The convergence criterion was set to 10−4, with which no failure was observed. Here the CPU version is the single-thread version without the red-black labeling.