Chemical System Conditioning
MatterGen — Crystal Generation
Generates crystals constrained to specified element sets.
Sources
Performance Metrics
| Metric | Value | Description |
|---|---|---|
| S.U.N. (well-explored) | 83% | Chemical systems with many known phases |
| S.U.N. (partially explored) | 65% | Systems with some known phases |
| S.U.N. (unexplored) | 49% | Systems with no known stable phases |
Test Set
Materials Project chemical systems
Notes
Performance degrades gracefully from well-explored to unexplored chemical systems. Even for completely unexplored systems, nearly half of generated structures are stable, unique, and novel.