#mdBIRCH

mdBIRCH for Fast, Scalable, Online Clustering of Molecular Dynamics Trajectories We present mdBIRCH, an online clustering method that adapts the BIRCH CF-tree to molecular dynamics (MD) data by using a merge test calibrated directly to RMSD. Each arriving frame is routed to the ne...

Clustering MD simulations instantaneously with #mdBIRCH: www.biorxiv.org/content/10.1...