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