MAHOMES-II (Metal Activity Heuristic of Metalloprotein and Enzymatic Sites-II) is a structure-based dataset for classifying protein-bound metal sites as enzymatic or non-enzymatic. ('Enzyme' column)
The train/test split follows a temporal split based on PDB deposition date. Structures that were deposited before 2018 were included in the training dataset, and structures deposited in 2018 or later went into the holdout test set. The train dataset… See the full description on the dataset page:
https://huggingface.co/datasets/RosettaCommons/MAHOMES_II.
