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stk: A python toolkit for supramolecular assembly

A tool for the automated assembly, molecular optimization and property calculation of supramolecular materials is presented. stk is a modular, extensible and open‐source Python library that provides a simple Python API and integration with third party computational codes. stk currently supports the...

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Detalles Bibliográficos
Autores principales:	Turcani, Lukas, Berardo, Enrico, Jelfs, Kim E.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley & Sons, Inc. 2018
Materias:	Software News and Updates
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6585955/ https://www.ncbi.nlm.nih.gov/pubmed/30247770 http://dx.doi.org/10.1002/jcc.25377

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