Including crystal contacts in training data improves sidechain prediction

Summary

When training an NN for sidechain prediction, (1) noted that including crystal contacts improved prediction outcomes.

1.

Mukhopadhyay A, Kadan A, McMaster B, McWhirter JL, Dixit SB. ZymePackNet: rotamer-sampling free graph neural network method for protein sidechain prediction. openRxiv; 2023. Available from: https://doi.org/10.1101/2023.05.05.539648