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compounds_data_analysis's Introduction

How to use the script to visualize&analyze compounds

  1. Install conda on your mac: https://www.anaconda.com/download/

  2. Download environment.yml, locate to the folder where the file was downloaded and type the following into the terminal:

    conda env create --file environment.yml

  3. After the environment is created, activate it:

    conda activate comp-vis-env

  4. Download and locate to the folder where you have compounds_depiction_analysis.ipynb file and open it with:

    jupyter notebook

  5. Follow the instructions in the notebook and do analysis!

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