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Papers Benchmarks Datasets Tasks

MPTS dataset and benchmarks · SOTA2 Research

Research Datasets

MPTS

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA ResultTrendResults

Stable structure prediction

MPTS-52

34.02Match Rate

15

Crystal Structure Prediction

MPTS-52 (test)

41.45MR

13

De Novo Generation

MPTS-52 (test)

99.87Structural Validity

7

Crystal Generation

MPTS-52

13Stability

6

Popular tasks

Crystal Structure Prediction Stable structure prediction De Novo Generation Crystal Generation

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