Virtual Computational Chemistry Laboratory

Input data Output results Examples List List of key words


Keyword of ChoiceType

Indicate if neural network models should be saved.

The option on request the C++ program to return file models that can be further retrieved to predict new data. This file should becopy-pasted inside of the corresponding window in the Data parameterswindow of the program. This will automatically requests the C++ programto use the saved model to predict new data (the value of the MODELSkeyword will be increased by 2). User should verify that number input variablesis the same as it was saved. A detailed explanation of the modelsfile is available here.

off{0} -- weightswill not be saved
on {1} -- weightswill be saved

The default value is on {1}.

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