MP-20
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Crystal structure prediction | MP-20 | Match Rate (%)66.4 | 19 | |
| Unconditional materials generation | MP-20 | Stability22.27 | 14 | |
| Crystal Structure Generation | MP-20 (test) | Compositional Validity92.1 | 10 | |
| De novo crystal generation | MP-20 | Energy Hull (eV)0.079 | 9 | |
| Crystal structure prediction | MP-20 (test) | Match Rate @ 164.08 | 9 | |
| Crystal structure prediction | MP-20 polymorph (test) | METRe79.06 | 6 | |
| Crystal Generation | MP-20 Metastability, Ehull < 0.1 | Metastable Rate81 | 6 | |
| Material Generation (Band Gap) | MP-20 (test) | Band Gap0.63 | 6 | |
| Material Property Optimization (Band Gap) | MP-20 | Band Gap0.63 | 6 | |
| Crystal Structure Prediction | MP-20 15 selected compounds (test) | Match Rate73.33 | 4 | |
| Property optimization | MP-20 (test) | SR@582 | 3 |
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