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Benchmarks
Protein-Ligand Binding Affinity Prediction on PDBbind 2017 (Scaffold)
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1.516
RMSE
HOLOPROT (molecular superpixels)
1.50032
1.60616
1.712
1.81784
Apr 4, 2022
RMSE
Pearson R
Spearman Rho
Updated 4d ago
Evaluation Results
Method
Method
Links
RMSE
Pearson R
Spearman Rho
HOLOPROT (molecular superpixels)
# Params=1.28 M, Confi...
2022.04
1.516
0.491
0.493
HOLOPROT (full surface)
# Params=1.44 M, Confi...
2022.04
1.523
0.489
0.491
Gainza et al.
# Params=0.62 M
2022.04
1.583
0.416
0.412
Elnaggar et al.
# Params=2.4 M
2022.04
1.592
0.398
0.409
Hermosilla et al.
# Params=5.80 M
2022.04
1.592
0.365
0.373
Rao et al.
# Params=93.0 M
2022.04
1.68
0.487
0.462
Bepler and Berger
# Params=48.8 M
2022.04
1.864
0.269
0.285
Öztürk et al.
# Params=1.93 M
2022.04
1.908
0.384
0.387
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