HANA

Requirements

1. Download Anaconda Navigator. https://www.anaconda.com/download

2. Create a virtual environment with conda and rdkit.

    conda create -c conda-forge -n my-rdkit-env rdkit
   

3. Install Jupyter Notebook. Open Anaconda Navigator with:

    anaconda-navigator
   

   In Anaconda Navigator, switch from "base(root)" to "my-rdkit-env", then install Jupyter Notebook. Close Anaconda Navigator and return to the terminal.

4. Activate the virtual environment.

    conda activate my-rdkit-env
   

5. Install the Git module.

    pip install gitpython
   

6. Clone repository.

   git clone https://github.com/DIFACQUIM/HANA.git
   

7. Review Examples.ipynb.