/tools/MDANCE
MDANCE
mqcomplab/MDANCE
summary
MDANCE is a framework that enhances the analysis of molecular dynamics simulations through innovative clustering algorithms, enabling efficient processing of large datasets. It provides tools for identifying biologically relevant conformations and predicting native protein structures from simulation data.
description
MDANCE: O(N) clustering for molecular dynamics. Process 1.5M frames in 40min. 8 specialized algorithms.
topics
algorithmsclusteringmolecular-dynamicsmachine-learning
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