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SotA/Graphs/Graph Regression

Graph Regression

33 benchmarks145 papers

The regression task is similar to graph classification but using different loss function and performance metric.

Benchmarks

Graph Regression on ZINC-500k

MAE

Graph Regression on ZINC

MAE

Graph Regression on PCQM4Mv2-LSC

Validation MAETest MAE

Graph Regression on Lipophilicity

RMSERMSE@80%TrainR2

Graph Regression on PCQM4M-LSC

Validation MAETest MAE

Graph Regression on Peptides-struct

MAE

Graph Regression on ZINC 100k

MAE

Graph Regression on Tox21

AUC@80%Train

Graph Regression on ZINC-full

Test MAE

Graph Regression on ESOL

RMSE

Graph Regression on Lipophilicity

RMSE

Graph Regression on QM9

Inference Time (ms)

Graph Regression on QM9: UATOM

MAE

Graph Regression on QM9: ZPVE

MAE

Graph Regression on QM9: del e

MAE

Graph Regression on QM9: mu

MAE

Graph Regression on ZINC 10k

Inference Time (ms)MAE

Graph Regression on ESR2

R2RMSE

Graph Regression on F2

R2RMSE

Graph Regression on GlassTemp

RMSE

Graph Regression on KIT

R2RMSE

Graph Regression on PARP1

R2RMSE

Graph Regression on PGR

R2RMSE