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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 no: | Philos Trans A Math Phys Eng Sci |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society Publishing
2020
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| Assuntos: | |
| Acesso em linha: | 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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