Adding prediction code?
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zhouhao-learning commented
Hello, are you considering adding a prediction code script? For example, after I have trained the model, I want to use the trained model to predict the affinity of molecules and proteins. I have smiles files of molecules and sequence files of proteins. I can run the prediction script directly, get the prediction results, and save the prediction results as files.
hkmztrk commented
@zhouhao-learning this might help you,