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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Details about PDBBind~

koalaaaaaaaaa opened this issue · comments

Thank you for your code! It's well written~
I have a few questions on finetuning task on PDB-Bind. I sincerely look forward to your kindest reply!
1. Inputs. Which features of protein are used as input? and whether pocket data (sub sequence) or full sequence are used?
2. Model architecture. Whether protein data and ligand data are sent into seperate encoders or they are sent into the same encoder? If different encoders are used, what is the type of protein encoder? and how the extracted features of protein and ligand gathered together for later prediction?
Thank you again for your clarifications for them!
btw, may I ask when the finetuning code for PDB bind will be released? Thanks