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HongxinXiang / ImageMol

ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
https://www.nature.com/articles/s42256-022-00557-6
MIT License
46 stars 26 forks source link

feature extraction script? #5

Closed pykao closed 1 year ago

pykao commented 1 year ago

Hi @HongxinXiang ,

Great job! Your method and results are pretty impressive and amazing. Do you have the script of feature extraction?

Best, PYK

HongxinXiang commented 1 year ago

Hi, sorry to see it so late. If you want to extract features, you just need to add the following line to the model definition: model = torch.nn.Sequential(*list(model.children())[:-1])

pykao commented 1 year ago

@HongxinXiang Thank you for your help :)