How to fine-tune in the PDBbind

lsj2408 / Transformer-M

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

https://arxiv.org/abs/2210.01765

MIT License

201 stars 24 forks source link

Open violet-sto opened 1 year ago

violet-sto commented 1 year ago

Hi,

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

lsj2408 commented 1 year ago

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

violet-sto commented 1 year ago

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