thinng/GraphDTA

How to use a trained model to predict a new data?

mallertian opened this issue · 2 comments

mallertian commented

I now have some sequences of proteins and drugs but no affinity data between them. How can I predict the affinity between them through your method？How should I handle my data and how to call your method? Can you predict? I don't know how to make this, please give me some methods, thank you!

thinng commented

Hi mallertian,

There are two steps:

  1. Create data in pytorch format
    python create_data.py

  2. Predict affinity with pretrained models
    python predict_with_pretrained_model.py

Cheers,
thinng

mallertian commented

Hi mallertian,

There are two steps:

1. Create data in pytorch format
   python create_data.py

2. Predict affinity with pretrained models
   python predict_with_pretrained_model.py

Cheers,
thinng
Thank you. I think I know what to do