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README.md

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 ---
 license: mit
 ---
+# 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**](https://arxiv.org/abs/2206.06583). We employ all proteins from the original dataset, and split them based on 70% structure similarity (see [ProteinShake](https://github.com/BorgwardtLab/proteinshake/tree/main)), 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:**
+
+**···**
+

train/data.mdb

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