MLIP screening of the shipped paper candidates (MACE-MP-0)¶
Community submitted · ●●●○○ MLIP validated
| Dataset | Perov-5 |
| Modalities | structure, property:heat_all, property:dir_gap |
| Model | MEIDNet early fusion + curriculum (production model) (MEIDNet 2.0.0, perovskite_abx3) |
| Category | Validation level |
| Submitted by | Anand Babu (UCLouvain) on 2026-10-03 |
| Configuration | examples/perov5/meidnet.yaml |
| Checkpoint | dual_autoencoder_clip_earlyfusion_propertyaware_2k.pth |
| Resources | laptop CPU |
Results¶
| metric | value | split | meaning | note |
|---|---|---|---|---|
n_screened |
26 structures | structures relaxed with the MLIP | the CIFs in examples/perov5/paper_results/ |
Validation¶
Evidence level: ●●●○○ MLIP validated.
Evidence:
examples/perov5/paper_results/
Reproduce¶
Configuration examples/perov5/meidnet.yaml:
meidnet screen examples/perov5/paper_results --train-csv data/perov5/train.csv
Notes¶
n_stable / n_unique / n_novel / n_sun are filled in by python scripts/benchmarks.py reproduce paper-results-mace-screen (MACE-MP-0 relaxation, about ten minutes on a CPU).