Unable to run train_and_plot_cv_models.py after following the Installation Steps

[gabi107]

Can you assist with this error message?
When running the command "python train_and_plot_cv_models.py --make_data true --train_predict true --plot_parity true," I receive the following error: "train_and_plot_cv_models.py: error: argument --gpu: invalid choice: 0 (choose from )."

Then, I ran "python train_and_plot_cv_models.py --make_data" and it gave me a warning message that said,
"See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy morgan_df['smiles'][row] = formulation C:\Users\gtheis2\git\Chem-prop-pred\chemproppred\make_balanced_train.py:29: SettingWithCopyWarning: A value is trying to be set on a copy of a slice from a DataFrame."

Do you have any suggestions for resolving these two issues?

[JurgisR]

Hi Gabi,
Apologies for the slow reply. For the first issue it seems like you might not have cuda compatible GPUs available on the computer you are trying to run this code. So if you add the flag "--gpu false" it should default to using the CPU available resources.
For the 2nd issue, as it's only a warning and not an error it's fine to run the code without addressing it.