bowman-lab / enspara

Modeling molecular ensembles with scalable data structures and parallel computing
https://enspara.readthedocs.io
GNU General Public License v3.0
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Add tolerance exit for Kmedoids #234

Open Justin-J-Miller opened 3 months ago

Justin-J-Miller commented 3 months ago

Add an optional exit to Kmedoids clustering (similar to radius) where if the acceptance rate goes sufficiently low you stop any future Kmedoids sweeps.