MEIDNet (paper): inverse design of perovskites from property targets¶
Published (from the paper) · ●●●●○ DFT validated
| Dataset | Perov-5 |
| Modalities | structure, property:heat_all, property:dir_gap |
| Model | MEIDNet early fusion + curriculum (production model) (MEIDNet 1.0 (paper), perovskite_abx3) |
| Category | Conditional design |
| Submitted by | Anand Babu (UCLouvain) on 2026-05-29 |
| Configuration | examples/perov5/meidnet.yaml |
| Checkpoint | dual_autoencoder_clip_earlyfusion_propertyaware_2k.pth |
Results¶
| metric | value | split | meaning | note |
|---|---|---|---|---|
n_generated |
140 structures | candidates the search produced | candidates generated from property targets in the campaign reported in the paper | |
n_sun |
19 structures | stable, unique and novel candidates | stable, unique and novel after screening | |
sun_rate |
0.136 | n_sun / n_generated | 19 of 140 |
Validation¶
Evidence level: ●●●●○ DFT validated.
Evidence:
- https://doi.org/10.1038/s41524-026-02153-3
examples/perov5/paper_results/
These numbers are quoted from the paper.
Notes¶
Numbers quoted from the paper. The 26 CIFs in examples/perov5/paper_results/ are the candidates shipped with the paper; the MLIP screening row re-runs meidnet screen on them.