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A survey of algorithms for transforming molecular dynamics data into metadata for in situ analytics based on machine learning methods
This paper presents the survey of three algorithms to transform atomic-level molecular snapshots from molecular dynamics (MD) simulations into metadata representations that are suitable for in situ analytics based on machine learning methods. MD simulations studying the classical time evolution of a...
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| Publicado en: | Philos Trans A Math Phys Eng Sci |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
The Royal Society Publishing
2020
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7015296/ https://ncbi.nlm.nih.gov/pubmed/31955686 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsta.2019.0063 |
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