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molecular-properties's Introduction

Flask app that gets various properties of a molecule provided in SMILES format.

Running the program

  1. Install anaconda
  2. Create conda environment from the provided .yaml conda env create --file environment.yaml
  3. Activate the environment conda activate cenv
  4. Set the FLASK_APP environment variable (Powershell): $env:FLASK_ENV = "development"
  5. Run the flask app flask run

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