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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...
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| Publicado en: | ACS Omega |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
American
Chemical
Society
2020
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| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7745226/ https://ncbi.nlm.nih.gov/pubmed/33344813 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c03892 |
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