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ResearchFormerly WizWand

MolBench

Benchmarks

TaskDatasetSOTA resultTrendResults

Molecular Docking Screening

MolBench-MS

80Average Hits@3

13

Binding Affinity Comparison

MolBench-MS

81.1Accuracy

13

Molecular Property Filtering

MolBench-MS

98Accuracy

13

Molecule Optimization for Physicochemical Properties

MolBench-MO

0Delta

13

Molecule Editing

MolBench-MO Molecule Editing (39 tasks)

100Accuracy

13