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``conda create --name CAT python``\n\n- The virtual environment can be enabled and disabled by, respectively, typing:\n\n    - Enable: ``conda activate CAT``\n\n    - Disable: ``conda deactivate``\n\n\nDependencies installation\n-------------------------\n\nUsing the conda environment the following packages should be installed:\n\n- rdkit_ \u0026 h5py_: ``conda install -y --name CAT --channel conda-forge rdkit h5py``\n\n\nPackage installation\n--------------------\nFinally, install **Data-CAT** using pip:\n\n- **Data-CAT**: ``pip install data-CAT --upgrade``\n\nNow you are ready to use **Data-CAT**.\n\n\n.. _miniconda: http://conda.pydata.org/miniconda.html\n.. _anaconda: https://www.continuum.io/downloads\n.. _installConda: https://docs.anaconda.com/anaconda/install/\n.. _CAT: https://github.com/nlesc-nano/CAT\n.. _rdkit: http://www.rdkit.org\n.. _h5py: http://www.h5py.org/\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fnlesc-nano%2Fdata-cat","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fnlesc-nano%2Fdata-cat","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fnlesc-nano%2Fdata-cat/lists"}