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Extracting necessary files to use prediction in Jupityr Notebook. #9

@BryarTuc

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@BryarTuc

Hello, I am a little new to python and was wondering if there was a more detailed description on how to extract the necessary files for this package to work.

I downloaded the entire package (.py, .smi, and .pkl files) but am struggling to get the predictor started.

  1. What is the best way to extract the package through the Jupityr environment?
  2. I have tried to copy and paste the necessary code into a single notebook, but get errors each time. Running python etoxpred_predict.py --datafile tcm600_nr.smi --modelfile etoxpred_best_model.joblib --outputfile results.csv gives me an invalid syntax error. Should I be changing anything in this line of code?

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