Band Gap Conditioning (DFT)
MatterGen — Crystal Generation
Fine-tuned to generate crystals matching a target DFT band gap value.
Sources
Performance Metrics
| Metric | Value | Description |
|---|---|---|
| Structure Validity | 100% | Inherited from base architecture |
| Target Conditioning | Supported | Accepts band gap target in eV; exact MAE behind Nature paywall |
Test Set
Materials Project band gap subset
Notes
Property conditioning MAE values are reported in the Nature paper (Figures 3–4) but behind paywall. The paper demonstrates successful generation of semiconductors with targeted band gaps across 0–6 eV range.