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a framework with scripts for the analysis and clustering of molecular systems according to data obtained using the PARENT package.

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nalsur-veallam/ARTEMIS

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ARTEMIS

An information theory based numerical framework for analysis of communication and clustering in molecular systems using MD processed by the PARENT or PARENT_GPU packages.

Framework scheme

0) INSTALLATION

To download the console-app version, use:

    git clone https://github.com/nalsur-veallam/ARTEMIS.git

After that, enter the directory with the library

    cd ARTEMIS

And run:

    conda env create -f environment.yml
    conda activate artemis

After this, the ARTEMIS program will be installed in your conda environment. Run

    artemis -h

to view available modules.

1) MANUAL AND TUTORIAL

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a framework with scripts for the analysis and clustering of molecular systems according to data obtained using the PARENT package.

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