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aqlaboratory / openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
Apache License 2.0
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Enable Dropout in inference #446

Open tkramer-motion opened 6 months ago

tkramer-motion commented 6 months ago

Hello,

I am trying to enable dropout during inference of the multimer model. This is enabled here for AlpaFold - https://github.com/bjornwallner/alphafoldv2.2.0/blob/9f76c2adf55403fd80b9079052716857d77a0396/alphafold/model/model.py#L80. Can you provide a pointer on how to enable this for OpenFold?

Thanks,

Trevor

eamag commented 6 months ago

Hi Trevor, as I understand, OpenFold uses PyTorch dropout, and at the PyTorch docs you can see that during eval mode it just computes an identity function. So you don't have to enable anything other than eval mode Dmitrii