Add mdBIRCH clustering algorithm implementation#80
Merged
bryllewoody merged 1 commit intomqcomplab:mainfrom Nov 6, 2025
Merged
Add mdBIRCH clustering algorithm implementation#80bryllewoody merged 1 commit intomqcomplab:mainfrom
bryllewoody merged 1 commit intomqcomplab:mainfrom
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Add mdBIRCH clustering algorithm for molecular dynamics trajectory analysis.
Changes:
src/mdance/cluster/mdbirch.py): Complete implementation of the mdBIRCH clustering algorithm with RMSD-calibrated merge decisions for online clustering of molecular trajectoriesscripts/mdbirch/run_mdbirch.py): Script to run mdBIRCH clustering on trajectory datatests/test_mdbirch.py): Comprehensive tests for mdBIRCH