Rafael Brent

Docking computations failed for certain complexes

1

Thanks so much for creating this tool! I've largely had success in using the published Colab notebook-- however, for a certain subset of complexes DiffDock eventually prints "Failed for 1...

### Bug description When an `EarlyStopping` callback would halt the training before `min_epochs` has elapsed, `EarlyStopping` is (correctly) overridden, and prints the warning message given below. However, at the exact...