Virtual Computational Chemistry Laboratory

Input data Output results Example List of key words


Keyword of Choice Type

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 be copy-pasted inside of the corresponding window in the Data parameters window of the program. This will automatically requests the C++ program to use the saved model to predict new data (the value of the MODELS keyword will be increased by 2). User should verify that number input variables is the same as it was saved. A detailed explanation of the models file is available here.

off{0} -- weights will not be saved
on {1} -- weights will be saved

The default value is on {1}.

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