Comments (4)
Hi @camel2000,
Thanks for your interest in our work.
I don't know if @FreyrS can provide any help on this - he is the one who ran all of our experiments.
On my side, I can at least give you a pointer to the reference image of the KeOps library: https://hub.docker.com/r/getkeops/keops-full
It is described here: https://github.com/getkeops/keops/blob/main/Dockerfile
which explains how to setup PyTorch, KeOps, and (a subset of) PyG.
Best regards,
Jean
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The reply is a little late, because I have been busy with other things recently. Thank you very much for your help. This problem has been solved, and the project can start running smoothly @jeanfeydy
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Perfect, thanks :-)
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@camel2000 您好,请问您在这个项目的site和search板块都能得到作者它们描述的auroc结果吗?我用了作者提供的该dMaSIF_search_3layer_12A_16dim进行search版本的推理,对他们的测试集进行推理,auroc只有0.55左右。请问您的结果是多少呀?谢谢,祝好
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Related Issues (20)
- Choice of the atom RADII HOT 1
- How to predict the interface characters of single protein? HOT 1
- dMaSIF for interaction prediction, how to find complementary regions? HOT 2
- No save model checkpoints for site prediction HOT 2
- Input seems to require a y value HOT 2
- Running you example does not provide same ROC-AUC as claimed in the paper HOT 14
- Using main_training.py
- Problems regarding loss function and auroc
- How to replace with my own dataset
- why the interface is computed like this ? HOT 4
- About helper.py
- Pre-trained model in Hugging face
- [Question] Are ligands or PTMs considered
- How to mathematically define the binding surface? HOT 1
- Why "iface_preds " contain NAN when training dmasif_ HOT 7
- Return value in diagonal_ranges function
- embedding example HOT 1
- faces of the protein surface
- RuntimeError: operation does not have an identity.
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