scikit-fingerprints/

LRGB_Peptides-struct

Peptides-struct (Peptides structural) dataset, part of Long Range Graph Benchmark (LRGB) [1]. It is intended to be used through scikit-fingerprints library. The task is to predict structural properties of peptides. Note that this is raw data, whereas the original paper [1] specifies that targets should be standardized (mean 0, standard deviation 1) before training and evaluation. scikit-fingerprints does this by default in the loader function, otherwise this… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/LRGB_Peptides-struct.