cansyl / DEEPScreen

DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
109 stars 44 forks source link

How do I use a pre-trained model to generate predictions? #15

Open suzyy-qq opened 2 years ago

suzyy-qq commented 2 years ago

I'm new to machine learning and am trying to use DEEPScreen to generate predictions for some new molecules. I want to use a pre-trained model and don't want to train it each time. How would you recommend I do it? I'm also unsure about how to read the input images. They're in a directory.

thank you!

suzyy-qq commented 2 years ago

I want to be able to use load_state_dict()