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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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| Publicado no: | J Comput Chem |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley & Sons, Inc.
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6585955/ https://ncbi.nlm.nih.gov/pubmed/30247770 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.25377 |
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