A framework with scripts for the analysis and clustering of molecular systems according to data obtained using the PARENT or PARENT_GPU package.
You will need g++ and python libraries to work: numpy, pandas, seaborn, json, matplotlib, sklearn and scipy.
To download the console-app version, use:
After that, enter the directory with the library
cd ARTEMIS
And compile the C++ part of the library using make:
make
Next, you can install all the dependencies for Python. Use:
pip3 install -r requirements.txt
To install the library completely, run:
pip3 install -e .
After this, the ARTEMIS program will be installed on your computer. Run
artemis -h
to view available modules.
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