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AdsorbML dataset and benchmarks · SOTA2 Research

Research Datasets

AdsorbML

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA ResultTrendResults

Molecular Relaxation

AdsorbML OC20 (test)

91.57Success

11

Adsorption Energy Prediction

AdsorbML

72.25Success Rate

5

Popular tasks

Adsorption energy prediction Molecular Relaxation

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