Model for 3D superconductor design¶
- Description: This is a benchmark to evaluate how accurately a generative model can generate atomic structures with desired super critical transition temperature (Tc) using the Alexandria superconductor dataset. The dataset contains different types of chemical formula and atomic structures. Here we use lattice parameter (a) to compare models. External links: https://github.com/txie-93/cdvae, https://arxiv.org/abs/2110.06197, https://pubs.acs.org/doi/10.1021/acs.jpclett.3c01260
Reference(s): https://arxiv.org/abs/2406.04713, https://doi.org/10.1002/adfm.202404043, https://arxiv.org/abs/2110.06197, https://arxiv.org/abs/2405.03680
Model benchmarks
| Model name | Dataset | RMSE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| cdvae_invatoms | alex_supercon | 0.3137 | AtomGPT | 8253 | 10-17-2025 | CSV, JSON, run.sh, Info |
| atomgpt_invatoms | alex_supercon | 0.4821 | AtomGPT | 8253 | 10-17-2025 | CSV, JSON, run.sh, Info |
| flowmm_invatoms | alex_supercon | 1.003 | AtomGPT | 8253 | 10-17-2025 | CSV, JSON, run.sh, Info |