Finetuning with more than 20 atoms

[SoniaSY]

As the models you provide are pre-trained on MP-20, Is it possible to do finetuning on databases with more than 20 atoms?

[rongaoli]

It is possible to do finetuning on databases with more than 20 atoms.
I tried on up to 50 atoms.
However due to the data limitation, I don't think the performance is well...

[ddemounteney1-png]

If you want to fine tune on more than 50 atoms I think you have to retrain the base model on that higher number of atoms and then fine tune else the model will silently filter out any cifs with primitive cells greater than 20 in preprocessing. Its kinda hard to find a dataset with enough large cifs in it.