/tools/MDANCE

MDANCE

mqcomplab/MDANCE

98 stars10 forksPythonWebsiteAdded February 4, 2026
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

Ratings

N/A
0 ratings

Rate this tool:

Comments (0)

Sign in to leave a comment.

No comments yet. Be the first to share your thoughts!