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protein_id
stringlengths
7
36
category
stringclasses
5 values
CARP
float64
-0.91
1
ESM1b
float64
-0.96
1
ESM1v
float64
-1
1
ESM2-650M
float64
-0.94
1
ESM_IF1
float64
-1
1
ESM_IF1_multichain
float64
-0.71
1
GEMME
float64
-0.96
1
MIF
float64
-0.85
1
MIFST
float64
-0.95
1
MSA_Transformer
float64
-1
1
MULAN_small
float64
-0.94
1
PoET
float64
-0.94
1
VenusREM
float64
-1
1
ProSSN
float64
-0.96
1
ProSST-2048
float64
-1
1
Progen2-large
float64
-0.9
1
ProtGPT2
float64
-0.9
1
ProteinMPNN
float64
-0.94
1
ProteinMPNN_multichain
float64
-0.67
0.99
RITA-xlarge
float64
-0.94
1
SaProt_650M_PDB
float64
-0.99
1
Tranception_L
float64
-0.9
1
Tranception_no_retrieval_L
float64
-0.9
1
UniRep
float64
-1
1
VESPA
float64
-1
1
1BXZ_ee
selectivity
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0.857143
0.857143
0.857143
0.857143
null
0.857143
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0.857143
0.857143
0.714286
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0.857143
0.857143
0.857143
0.857143
0.571429
0.714286
null
0.857143
0.714286
0.857143
0.857143
0.571429
0.857143
1MLC_2_Kd-wtKd-mut
small_molecule_binding
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0.428571
0.428571
0.571429
0.571429
null
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0.571429
0.571429
0.714286
0.428571
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0.571429
0.571429
0.571429
0.428571
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0.285714
null
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0.571429
0.571429
0.571429
0.571429
1Z42_ee_1
selectivity
0.828571
0.857143
0.857143
0.828571
0.857143
null
0.857143
0.857143
0.857143
0.857143
0.857143
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0.857143
0.828571
0.742857
0.685714
null
0.857143
0.828571
0.857143
0.857143
0.542857
0.857143
1Z42_ee_2
selectivity
0.413793
0.413793
0.413793
0.413793
0.413793
null
0.413793
0.413793
0.413793
0.413793
0.413793
0.413793
0.413793
0.413793
0.413793
0.413793
0.413793
0.37931
null
0.413793
0.413793
0.413793
0.413793
0.62069
0.413793
1Z42_ee_3
selectivity
0.793103
0.793103
0.793103
0.793103
0.793103
null
0.793103
0.793103
0.793103
0.793103
0.793103
0.793103
0.793103
0.793103
0.793103
0.793103
0.655172
0.655172
null
0.793103
0.793103
0.413793
0.344828
0.586207
0.793103
2Q0Q_ee_1
selectivity
0.488889
0.422222
0.577778
0.466667
0.511111
null
0.422222
0.444444
0.444444
0.466667
0.4
0.488889
0.422222
0.422222
0.4
0.422222
0.577778
0.488889
null
0.533333
0.466667
0.511111
0.511111
0.422222
0.422222
2Q0Q_ee_2
selectivity
0.666667
0.487179
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0.589744
0.538462
null
0.487179
0.512821
0.512821
0.538462
0.461538
0.641026
0.487179
0.487179
0.512821
0.564103
0.435897
0.589744
null
0.692308
0.564103
0.615385
0.641026
0.487179
0.487179
2YLR_ee
selectivity
0.230769
0.358974
0.25641
0.230769
0.358974
null
0.358974
0.358974
0.358974
0.358974
0.307692
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0.230769
0.25641
0.307692
0.666667
null
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0.358974
0.384615
0.461538
0.564103
0.358974
3FCR_activity-substrate-1
activity
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null
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0.25
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0.25
null
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0.125
0.125
0.75
0.125
3FCR_activity-substrate-2
activity
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0.75
0.5
null
0.375
0.375
0.5
0.375
0.625
0.625
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0.375
0.375
0.375
0.5
0.75
null
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0.375
0.375
0.5
0.375
4OVI_ee_2
selectivity
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1
0.642857
null
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0.642857
0.714286
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1
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0.857143
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null
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0.857143
0.928571
0.428571
0.642857
4OVI_ee_3
selectivity
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0.6
0.6
null
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0.6
0.6
0.6
0.6
0.6
0.6
0.6
0.6
0.6
0.6
0.6
null
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0.6
0.6
0.6
0.6
0.6
4OVI_ee_4_substreate_1a
selectivity
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0.666667
null
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0.666667
0.666667
0.333333
0.333333
0.5
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0.5
0.5
0.5
null
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0.666667
0.666667
0.666667
0.5
0.666667
5A71_ee
selectivity
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0.5
0.5
0.5
0.285714
null
0.357143
0.571429
0.285714
0.428571
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0.428571
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0.571429
null
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0.5
0.428571
0.357143
0.428571
0.428571
5A71_kcat
activity
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0.5
0.5
0.333333
null
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0.333333
0.333333
0.333333
0.166667
0.5
0.333333
0.333333
0.333333
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0.333333
0.333333
null
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0.333333
0.5
0.5
0.666667
0.333333
5A71_kcatkm
activity
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0.666667
0.5
null
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0.5
0.5
0.5
0.666667
0.666667
0.5
0.5
0.5
0.666667
0.5
0.5
null
0.666667
0.5
0.666667
0.666667
0.5
0.5
5Z2X_ee
selectivity
0.65
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0.45
0.55
0.4
null
0.3
0.4
0.4
0.6
0.3
0.55
0.45
0.6
0.45
0.45
0.45
0.3
null
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0.6
0.55
0.5
0.65
0.45
6JXG_activity
activity
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null
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null
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0.285714
0.857143
0.857143
7LOO_activity
activity
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null
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null
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0.588235
7YVR_activity
activity
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null
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0.582609
0.356522
null
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0.730435
0.73913
0.678261
0.426087
0.817391
7YVR_de
selectivity
0.847682
0.92053
0.847682
0.774834
0.675497
null
0.92053
0.834437
0.92053
0.913907
0.629139
0.821192
0.887417
0.92053
0.887417
0.84106
0.695364
0.860927
null
0.880795
0.86755
0.887417
0.900662
0.615894
0.92053
A0A059TC02_activity
activity
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0.4
0.4
0.4
0.6
null
0.4
0.6
0.4
0.4
0.6
0.4
0.4
0.4
0.4
0.4
0.4
0.6
null
0.4
0.4
0.4
0.4
0.4
0.4
A0A0H2V871_DGE_activity
activity
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1
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0.923077
null
1
1
1
0.846154
0.538462
0.769231
1
1
1
0.846154
0.846154
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null
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1
A0A0H2V871_Ent_activity
activity
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1
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null
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1
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1
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0.846154
0.846154
null
0.923077
0.692308
1
1
0.153846
1
A0A0I9QGZ2_ee_1
selectivity
0.3
0.3
0.3
0.3
0.3
null
0.3
0.4
0.3
0.3
0.3
0.3
0.3
0.3
0.3
0.3
0.3
0.6
null
0.3
0.3
0.2
0.2
0.8
0.3
A0A0I9QGZ2_ee_2
selectivity
0.1875
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0.1875
0.1875
null
0.125
0.1875
0.125
0.125
0.1875
0.1875
0.125
0.125
0.125
0.125
0.4375
0.3125
null
0.125
0.1875
0.125
0.125
0.5625
0.125
A0A0I9QGZ2_kcat
activity
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null
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0.2
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0.2
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0.2
0.2
0.2
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0.2
0.4
null
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0.2
0.2
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0.2
A0A0I9QGZ2_kcatkm
activity
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null
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null
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A0A0I9QGZ2_km
activity
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null
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null
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A0A0K8P6T7_TPA_activity
activity
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null
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A0A0K8P6T7_activity
activity
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null
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null
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A0A0K8P8E7_activity
activity
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A0A0P0ZBS7_activity
activity
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A0A7I6N400_ee
selectivity
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null
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A0MGZ7_substrate_VII_activity
activity
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A0MGZ7_substrate_VI_activity
activity
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A2QAN3_kcat
activity
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A2QAN3_kcatkm
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A2RJT9_DCIP_activity
activity
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A2RJT9_oxygen_activity
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A4QAA6_activity
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A4XGA6_M5_Epimerization_activity
activity
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A4XGA6_M5_Isomerization_activity
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ACY56506_1_km
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AHW42593_1_activity
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AHZ56660_1_kcat
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AHZ56660_1_km
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ALB07219_1_activity
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BAA88830_1_activity
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BAA_activity
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BindingDB_O60885_227644_Kd
small_molecule_binding
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End of preview. Expand in Data Studio

VenusMutHub Dataset

VenusMutHub is a comprehensive collection of protein mutation data designed for benchmarking and evaluating protein language models (PLMs) on various mutation effect prediction tasks. This repository contains mutation data across multiple protein properties including enzyme activity, binding affinity, stability, and selectivity.

Dataset Overview

VenusMutHub includes:

  • Mutation data for hundreds of proteins across diverse functional categories
  • Evaluation metrics for multiple protein language models
  • Raw mutation data with sequence information and fitness scores
  • DOI references for all data sources

Repository Structure

The repository is organized as follows:

/mutant

Contains raw mutation data organized by functional categories:

  • /activity: Enzyme activity data including kcat, km, and kcat/km measurements
  • /dti_binding: Drug-target interaction binding data
  • /ppi_binding: Protein-protein interaction binding data
  • /selectivity: Enzyme selectivity data
  • /stability: Protein stability measurements

Each CSV file in these directories follows the format:

mutant,mutated_sequence,fitness_score

Where:

  • mutant: The mutation(s) in standard notation (e.g., V109I)
  • mutated_sequence: The full protein sequence with the mutation(s)
  • fitness_score: The experimental measurement for the specific property

/single_mutant

Contains filtered mutation data that includes only single-point mutations, maintaining the same directory structure as /mutant. Only files with at least 5 single mutations are included.

/model_evaluation

Contains evaluation metrics for various protein language models on the mutation datasets:

  • accuracy.csv: Classification accuracy for each model on each dataset
  • f1.csv: F1 scores for classification tasks
  • ndcg.csv: Normalized Discounted Cumulative Gain for ranking tasks
  • spearman.csv: Spearman correlation coefficients for regression tasks

/doi.csv

Maps each dataset to its original publication DOI for proper citation and reference.

Usage

This dataset can be used for:

  1. Benchmarking protein language models on mutation effect prediction
  2. Training new models for specific mutation prediction tasks
  3. Comparative analysis of model performance across different protein properties
  4. Meta-analysis of mutation effects across protein families

Citation

If you use the VenusMutHub dataset in your research, please cite VenusMutHub directly.

License

This dataset is released under the MIT license.

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