GitHub / hmcezar / clusttraj
Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar structures.
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PURL: pkg:github/hmcezar/clusttraj
Stars: 23
Forks: 4
Open issues: 3
License: gpl-3.0
Language: Python
Size: 6.35 MB
Dependencies parsed at: Pending
Created at: over 7 years ago
Updated at: 13 days ago
Pushed at: 13 days ago
Last synced at: 13 days ago
Commit Stats
Commits: 114
Authors: 2
Mean commits per author: 57.0
Development Distribution Score: 0.061
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/hmcezar/clusttraj
Topics: clustering, distance-matrix, molecular-dynamics, monte-carlo-trajectory, openbabel, python-script, rmsd, trajectory