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DeepGraphLearning / GearNet

GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)
MIT License
253 stars 28 forks source link

Error in Fold3D config file #21

Closed valegiunchiglia closed 1 year ago

valegiunchiglia commented 1 year ago

Hi! Thank you for your great work!! I just have a quick question. I am trying to use Gearnet with the Fold3D dataset using the configuration file you provided. But I keep on getting this error (I add the screenshot in attach). If I remove mlp_batch_norm and mlp_dropout the code runs, but the model doesn't seem to train properly. I would really appreciate if you could give me your input on that, or let me know what I am doing incorrectly. Thanks a lot!!

Screenshot 2023-04-04 at 14 51 18

Oxer11 commented 1 year ago

Hi,

I've added a comment in README.md. To run Fold3D, you need to install the latest version of torchdrug from source. Sorry about the inconvenience! We'll update the latest version to conda and pip soon.

valegiunchiglia commented 1 year ago

Ahh!! That makes sense - I thought it might be a version issue, but I had the latest version from conda so I was not sure. Thanks for getting back to me so quickly!!