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Binding Affinity Prediction on SKEMPI2 (all mutations)

0.669Pearson Corr (Overall)DiffAffinity
0.111560.256280.4010.54572Oct 30, 2023

Evaluation results

MethodLinks
DiffAffinity2023.100.6690.5561.5351.0930.7440.8960.4220.397
DiffAffinity2023.100.650.6022.0511.540.7840.9210.4140.387
DiffAffinity*SidechainDiff encoder=absent2023.100.6460.5381.5781.1130.7420.7410.4150.392
RDE-Net2023.100.6320.5271.6011.1420.7310.8870.4150.376
DDGPred2023.100.630.41.3130.9950.6960.8920.3560.321
ESM2*pre-training=self-supervised representations2023.100.6230.4981.6151.1790.7210.8870.3620.316
DiffAffinity*SidechainDiff encoder=absent2023.100.6130.5422.1331.6060.750.750.4070.379
ESM2*2023.100.6030.5292.151.670.7580.9090.3330.304
RDE-Net2023.100.6010.5672.1571.6310.7680.8980.390.36
DDGPred2023.100.5910.5032.1811.670.7590.9130.3730.385
flex ddG2023.100.4020.4271.5871.1020.6750.8660.4140.386
flex ddG2023.100.3980.4191.7651.3260.6690.8540.4010.363
DiffAffinity-Linearprojection=linear2023.100.3260.3051.9541.3990.6420.8570.2220.222
ESM-IF2023.100.3260.3352.6451.9560.6370.7540.2020.149
FoldX2023.100.3190.4161.9591.3570.6710.8390.3760.375
ESM-IF2023.100.3190.2811.8861.2860.590.7680.2240.202
Rosetta2023.100.3110.3461.6171.1310.6560.810.3280.298
DiffAffinity-Linearprojection=linear2023.100.2770.2882.5931.9610.6290.8670.1930.195
FoldX2023.100.2560.4182.6081.9260.7040.8410.3330.34
Rosetta2023.100.1990.232.6582.0240.6210.7980.1910.083
ESM-1v2023.100.1920.1571.9611.3680.5410.7350.007-0.012
ESM-1v2023.100.1920.1752.7592.1190.5420.678-0.06-0.128
ESM22023.100.170.1632.6582.0210.5660.7460.010.01
ESM22023.100.1330.1382.0481.460.5470.7380.0440.039