How to finetune on a new dataset

[sarahgurev]

Hello! Can you help point me to what I should do if I want to finetune this model on a novel set of complexes that are not in any of your datasets?

[amorehead]

Hello! Thank you for expressing interest in our work. We are currently in the process of updating the DIPS-Plus repository from which we derive this cross-validation dataset. I expect these updates will be completed by the end of June. Once these updates have been made, it should be reasonably simple for users to curate their own interaction prediction datasets from the RCSB (or potentially other structural data sources) using the DIPS-Plus codebase.

[andymlau]

Hey @amorehead, just wanted to follow up on whether there are still plans for streamlining the code for training/fine-tuning on custom datasets?