M3GNet-selected structures
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Crystal Structure Generation (Band Gap Optimization) | 100 M3GNet-selected structures (DFT evaluated) | Band Gap1 | 6 | |
| Crystal Structure Generation (Formation Energy Optimization) | 100 M3GNet-selected structures (DFT evaluated) | Formation Energy (Eform)-2.87 | 6 |
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