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mosaic-clustering

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Correlation based feature selection for molecular dynamics data

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::mosaic-clustering

Usage Tracking

0.5.0
0.4.1
0.4.0
0.3.2
0.3.1
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Total downloads: 0

Description

MoSAIC is an unsupervised method for correlation analysis which automatically detects the collective motion in MD simulation data, while simultaneously identifying uncorrelated coordinates as noise. Hence, it can be used as a feature selection scheme for Markov state modeling or simply to obtain a detailed picture of the key coordinates driving a biomolecular process. It is based on the Leiden community detection algorithm which is used to bring a correlation matrix in a block-diagonal form.

About

Summary

Correlation based feature selection for molecular dynamics data

Information Last Updated

Nov 24, 2025 at 21:12

License

MIT

Total Downloads

12.5K

Platforms

noarch Version: 0.5.0