thanks. yeah, that step gave a small boost.
I had 2 ways to get validation scores:
- out of fold score for individual models: around .39
- average prediction of fold models on the held out set: around .41
LB: around .31
It’s possible that the distribution of the test smells was different from what we had in the train set or molecules were structurally different, hence the discrepancy between LB and validation. In previous rounds results were much closer.