Parallelise DomHMM - Githubissues

BioMemPhys-FAU / domhmm

Open source package to identify nano- and microdomains in Molecular Dynamics simulations of bio-membranes.

https://www.biomemphys.nat.fau.de

GNU General Public License v2.0

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Open yusuferentunc opened 1 month ago

yusuferentunc commented 1 month ago

[ ] Parallelise result_clustering function to multiprocessor
[ ] Highly test feature before release (from too small to too large simulations)
[ ] Check other candidate functions for parallelisation
[ ] Make parallelisation as parameter option for usability by default disabled (or enabled since clustering is usually long ?)

yusuferentunc commented 1 month ago

Parallelisation efforts on result_clustering is working with small simulations but locked in bigger simulations. It is implemented at this branch
Besides result_clustering, helper functions assign_core_lipids and hierarchical_clustering should be investigated for optimization