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Drugs dataset and benchmarks · SOTA2 Research

Research Datasets

Drugs

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA ResultTrendResults

Molecular Energy Prediction

Drugs (test)

959.94Energy (Hartrees)

15

Unconditional 3D molecular graph generation

Drugs

89Atom Stability (AS)

15

Forward Simulation

Drugs

0.036JSD Mean Bond Angle Deviation

7

Named Entity Recognition

Drugs (val)

96.3Micro F1 Score

1

Popular tasks

Named Entity Recognition Molecular energy prediction Forward Simulation Unconditional 3D molecular graph generation

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