How to reimplement with other molecular feature

[legendzzy]

Hi! I am wondering if it is possible to do the pretraining/finetuning for unimol with other extra features (like atom attributes)? And how to do it?
I would appreciate it a lot if you can help answer it.

[Naplessss]

you can refer to Uni-Mol+ or Uni-Mol2, we add some extra features( atom, bond etc.) in these backbones.

[legendzzy]

Thanks for your reply, I will have a check.

[legendzzy]

Hi, I have seen that there are other features for each atom in uni-mol2. If it is possible may I ask how to use such atom feature in unimol finetuning? Because there are many code modules in the whole project, it is a little bit complicated for me to figure out.