DeepGraphLearning / torchdrug

A powerful and flexible machine learning platform for drug discovery
https://torchdrug.ai/
Apache License 2.0
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model weights for the pre-trained graph models #63

Open katerinavr opened 2 years ago

katerinavr commented 2 years ago

Could you please provide the weights for the pre-trained GNN models for ZINC2M?

lukas-folkman commented 2 years ago

I think this suggestions relates to this benchmark: https://torchdrug.ai/docs/benchmark/pretrain.html

Would it be possible to share the code to run this pre-training two-step pipeline or the code to run the entire benchmark?

jasperhyp commented 1 year ago

Hi! Any updates on this regard? I thought providing the weights for e.g. SSL pretrained GIN should be quite straightforward :)