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Gnina --cnn_model ERROR #27

Closed JonasLi-19 closed 1 year ago

JonasLi-19 commented 1 year ago

error: completerec. I am wondering if it is because the model file is not compatible with the caffemodel file? Or other problem in my command?

JonasLi-19 commented 1 year ago

similarly: ligmap.old.

dkoes commented 1 year ago

The completerec file can be found here: https://github.com/gnina/models/blob/master/acs2018/completerec The model files need an atom type mapping and that is what this file provides.

SanFran-Me commented 1 year ago

So in every model directory, I need to put these completerec file and completelig file?

The completerec file can be found here: https://github.com/gnina/models/blob/master/acs2018/completerec The model files need an atom type mapping and that is what this file provides.

dkoes commented 1 year ago

You can put it where ever you want, as long as its path is set appropriately in the model file.