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ResearchFormerly WizWand

MP-20

Benchmarks

TaskDatasetSOTA resultTrendResults

Crystal structure prediction

MP-20

66.4Match Rate (%)

19

Unconditional materials generation

MP-20

22.27Stability

14

Crystal Structure Generation

MP-20 (test)

92.1Compositional Validity

10

De novo crystal generation

MP-20

0.079Energy Hull (eV)

9

Crystal structure prediction

MP-20 (test)

64.08Match Rate @ 1

9

Crystal structure prediction

MP-20 polymorph (test)

79.06METRe

6

Crystal Generation

MP-20 Metastability, Ehull < 0.1

81Metastable Rate

6

Material Generation (Band Gap)

MP-20 (test)

0.63Band Gap

6

Material Property Optimization (Band Gap)

MP-20

0.63Band Gap

6

Crystal Structure Prediction

MP-20 15 selected compounds (test)

73.33Match Rate

4

Property optimization

MP-20 (test)

82SR@5

3