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Wepy: A Flexible Software Framework for Simulating Rare Events with Weighted Ensemble Resampling
[Image: see text] 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 extensible, making it an excellent...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7745226/ https://www.ncbi.nlm.nih.gov/pubmed/33344813 http://dx.doi.org/10.1021/acsomega.0c03892 |