Comments (4)
Hi Cedric,
thanks for the interest in our work. It depends on what you want to achieve so I cant formulate an interesting research question for you from the far.
It depends a bit on the statistics and size of the dataset but probably I would first predict the test data with the semifrozen model (zero-shot setting) and then finetune the pretrained semifrozen model on the train data and re-evaluate it on the test.
Hope this helps!
from titan.
HI thanks for replying.
So I did as the readme suggested and start directly with the finetuning.
But I get a lot of errors, which seem to be connected to smiles embedding
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You're feeding amino acid sequences where there should be SMILES sequences. Please read the docs and compare your input files to the example inputs
from titan.
Ok, I thought that you can also provide .csv files with the amino acids, because it is also like that in ./scripts/flexible_training.py
I'll transform my data into smile and try to run it again.
Thanks for your help and patience.
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Related Issues (14)
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