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.
Published in Bioinformatics - 07/15/2021
Availability and implementation: The method is available on GitHub and distributed as a pip package.
More info at https://doi.org/10.1093/bioinformatics/btaa925