Is there a way to keep important hydrogens in predictions?

[andrew0901]

For example hydride on the catalytic metal center. It seems like the predictions that I generated don't include these

Thanks for your help!

[ikalvet]

Unfortunately this is not possible. The model would need to be re-trained entirely with hydrogens included. The challenge is that the training data (PDB structures) does not contain hydrogens, so they would have to be modeled in, hoping that they're all actually correct.