---
dataset_info:
  features:
  - name: input_ids
    sequence: int32
  - name: coords
    sequence:
      sequence: float64
  - name: label
    dtype: int64
  - name: token_type_ids
    sequence: int8
  splits:
  - name: train
    num_bytes: 1419748993
    num_examples: 2864
  - name: val
    num_bytes: 394945349
    num_examples: 937
  - name: test
    num_bytes: 214263730
    num_examples: 347
  download_size: 774980038
  dataset_size: 2028958072
configs:
- config_name: default
  data_files:
  - split: train
    path: data/train-*
  - split: val
    path: data/val-*
  - split: test
    path: data/test-*
---

# Mutation Stability Prediction

## Overview

The Mutation Stability Prediction (MSP) task involves classifying whether
mutations in the SKEMPI 2.0 database (J. Jankauskaite, B. Jiménez-García et al., 2019) are stabilizing or not using the provided protein structures.

Each mutation in the MSP task includes a PDB file with the residue of interest transformed to the specified mutant amino acid as well as the native PDB file.

A total of 4148 mutant structures accompanied by their 316 WT structures are provided.

Non-point mutations or mutants that caused non-binding of the complex were screened out from SKEMPI.
Additionally, mutations involving a disulfide bond and mutants from the PDBs 1KBH or 1JCK were ignored due to processing difficulties. 
A label of 1 was assigned to a mutant if the Kd of the mutant protein was less than that of the wild-type protein, indicating better binding, and 0 otherwise. 
If a mutant had multiple conflicting stability results in the original data, the first result seen when processing the SKEMPI dataset was used. 

## Datasets

- splits:
   - split-by-year: 


## Format

Each item in the dataset contains the following keys:

['input_ids'] The set of atomic numbers for both the mutated and original atoms concatenated together.
['coords'] The 3D coordinates for both the mutated and original atoms concatenated together.
['label'] 1 for better binding, 0 for worse or equal. 
['token_type_ids'] A mask that corresponds to which `inputs_ids`/`coords` belong to the mutated or original atoms (0 for mutated , 1 for original)