Articles with "simulating rare" as a keyword



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Wepy: A Flexible Software Framework for Simulating Rare Events with Weighted Ensemble Resampling

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Published in 2020 at "ACS Omega"

DOI: 10.1021/acsomega.0c03892

Abstract: Here, we introduce the open-source software framework wepy (https://github.com/ADicksonLab/wepy) which is a toolkit for running and analyzing weighted ensemble (WE) simulations. The wepy toolkit is in pure Python and as such is highly portable and… read more here.

Keywords: wepy; software framework; simulating rare; weighted ensemble ... See more keywords