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Papers Benchmarks Datasets Tasks

Lipo dataset and benchmarks · SOTA2 Research

Research Datasets

Lipo

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA ResultTrendResults

Molecular property prediction

Lipo 4199 graphs (test)

0.58RMSE

11

Lipo (scaffold split)

0.65RMSE

9

Molecular Property Regression

Lipo

0.37MAE

7

Molecular Property Prediction

Lipo

0.8RMSE

7

drug absorption property prediction

Lipo

0.541MAE

5

Lipo N=4200 (id)

0.61MAE (id)

4

Graph-level Regression

Lipo MoleculeNet

0.81R2

4

Bayesian Optimization

Lipo (canonical train pool)

3.95Final Best Mean

3

Popular tasks

Molecular property prediction Regression Molecular Property Regression Graph-level regression Bayesian Optimization

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