vector-institute/atom3d-res

Residue identity prediction Overview Understanding the structural role of individual amino acids is important for engineering new proteins. We can understand this role by predicting the substitutabilities of different amino acids at a given protein site based on the surrounding structural environment. We generate a novel dataset consisting of atomic environments extracted from nonredundant structures in the PDB. We formulate this as a classification task where… See the full description on the dataset page: https://huggingface.co/datasets/vector-institute/atom3d-res.