MDANCE๏ƒ

๐Ÿ–‹๏ธ Authors: MDANCE authors
๐Ÿ  Project home: https://github.com/mqcomplab/MDANCE
๐Ÿ“– Documentation: https://mdance.readthedocs.io
โš–๏ธ License: MIT
๐Ÿ”‘ Keywords: clustering, machine-learning, algorithms, molecular-dynamics, protein-refinement
๐Ÿš€ Development status: Production/Stable
๐Ÿ“‘ Publications:
* https://doi.org/10.1021/acs.jctc.4c00308
* https://doi.org/10.1021/acs.jctc.4c00362
๐Ÿงช Tests (latest): MDANCE develop CI status
๐Ÿงช Tests (develop): MDANCE develop CI status
Description:
flexible n-ary clustering package for Molecular Dynamics trajectories.

Installation instructions๏ƒ

The latest version of MDANCE can be installed using the following:

pip install mdance

The source code of MDANCE can be installed using the following:

pip install git+https://github.com/mqcomplab/MDANCE@main