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smilestomol

This app will accept SMILES formatted strings as a url parameter, convert them to a png, and then serve that image as a web page.

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Prereqs
install python 3.10
pip install update
pip install rdkit
pip install flask
flask --app flask_site.py run

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Test SMILES
/?smile=CN1CCC[C@H]1c2cccnc2

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https://192.168.209.1:5000 flask --app flask_site.py run --host=192.168.209.1 --cert='client.pem' --key='client_key.pem'

http://192.168.209.1:5000 flask --app flask_site.py run --host=192.168.209.1

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  • Python 77.3%
  • HTML 22.7%