Checkpoint Files

[selimsami]

Hi,

Thanks for making Uni-pKa available. I was wondering if you'd be able to share checkpoint files from your training so we could directly use your model?

Thanks,
Selim

[ZhouGengmo]

Since we used 5-fold cross-validation for fair comparison in the original study, the five models are relatively large and not very convenient to use.

We provide a single model trained without cross-validation, along with a detailed pipeline for use.

Please refer to this bohrium notebook.

[selimsami]

Thanks for sharing that. Do you have an idea how much worse the performance of the single trained model is?