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microsoft / Graphormer

Graphormer is a general-purpose deep learning backbone for molecular modeling.
MIT License
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Can't load the pretrain model #129

Open wen19shui opened 1 year ago

wen19shui commented 1 year ago

Hi, I failed in load the pretrain model ,here about the error : urllib.error.URLError: <urlopen error [Errno -2] Name or service not known> and then I want to get the url pretrain model's url the links I got from /pretrain/_init_.py seems to be shut down. The reason for closing is no longer to share. Could you please share the pre training model again? Thank you very much.

yuanbatou commented 1 year ago

I also have the same problem.

Frankewu0 commented 1 year ago

same problem as you

mavisguan commented 1 year ago

Hi, sorry for the late response. We're working on moving the pretrained models to a new site, and they will be available soon, please stay tuned.

mavisguan commented 1 year ago

To fix the problem, you can change pcqm4mv1 pretrained model's url to https://ml2md.blob.core.windows.net/graphormer-ckpts/checkpoint_best_pcqm4mv1.pt in file graphormer/pretrain/__init__.py. We'll update the code soon.

wen19shui commented 1 year ago

Thank you for your fix. I will try it soon. By the way, if I want to train a 3D model with the help of Graformer_3D, do I need to use a specific pretrained model, thanks a lot.

mavisguan commented 1 year ago

For now you can use our oc20 pretrained model (which will be moved to the new blob container soon), but we can't guarantee best performance because it was pretrained on the OC20 is2re task using a relatively small dataset. In near future we plan to release graphormer-3d model pretrained on a large-scale dataset.

jozhang97 commented 1 year ago

@mavisguan It's very exciting that in near future you plan to release graphormer-3d model pretrained on a large-scale dataset. Is this coming anytime soon? I'm not finding any graphormer-3d pretrained models here

https://github.com/microsoft/Graphormer/blob/77f436db46fb9013121289db670d1a763f264153/graphormer/pretrain/__init__.py#L4