quicksom: Self-Organizing Maps on GPUs for clustering of molecular dynamics trajectories

SUMMARY: We implemented the Self-Organizing Maps algorithm running efficiently on GPUs, and also provide several clustering methods of the resulting maps. We provide scripts and a use case to cluster macro-molecular conformations generated by molecular dynamics simulations. AVAILABILITY AND IMPLEMEN...

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Detalles Bibliográficos
Autores principales: Mallet, Vincent, Nilges, Michael, Bouvier, Guillaume
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2020
Materias:
Applications Notes
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8336998/
https://www.ncbi.nlm.nih.gov/pubmed/33135048
http://dx.doi.org/10.1093/bioinformatics/btaa925

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8336998/
https://www.ncbi.nlm.nih.gov/pubmed/33135048
http://dx.doi.org/10.1093/bioinformatics/btaa925

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