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Description

Metal Ion Binding prediction is a binary classification task where each input protein x is mapped to a label y ∈ {0, 1}, corresponding to whether there are metal ion–binding sites in the protein.

The digital label means:

0: No

1: Yes

Splits

Structure type: PDB

The dataset is from Exploring evolution-aware & -free protein language models as protein function predictors. We employ all proteins from the original dataset, and split them based on 70% structure similarity (see ProteinShake), with the number of training, validation and test set shown below:

  • Train: 5797
  • Valid: 719
  • Test: 719

Data format

We organize all data in LMDB format. The architecture of the databse is like:

length: The number of samples

0:

  • name: The PDB ID of the protein
  • chain: The chain ID of the protein
  • seq: The structure-aware sequence
  • label: Digital label of the sequence

1:

···