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lsj2408 / Transformer-M

[ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)

Home Page:https://arxiv.org/abs/2210.01765

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How to fine-tune in the PDBbind

violet-sto opened this issue · comments

commented

Hi,

It's a very interesting model. Would you mind providing the code for preprocessing the data of PDBbind and fine-tuning?

commented

Hi, I have released the finetuning code of QM9. The fine-tuning code of PDBBind will also be released soon~ Please stay tuned.

commented

Thanks for your reply! How do you extract the pocket and represent the complex as a graph?