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 JARVIS-DFT (dft_3d) dataset. The dataset contains different types of chemical formula and atomic structures. Here we use lattice parameter (c) 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://arxiv.org/abs/2110.06197, https://doi.org/10.1038/s41524-022-00933-1, https://arxiv.org/abs/2405.03680
Model benchmarks
| Model name | Dataset | RMSE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| cdvae_invatoms | dft_3d | 0.6394 | AtomGPT | 1058 | 10-17-2025 | CSV, JSON, run.sh, Info |
| atomgpt_invatoms | dft_3d | 0.9914 | AtomGPT | 1058 | 10-17-2025 | CSV, JSON, run.sh, Info |
| flowmm_invatoms | dft_3d | 1.6954 | AtomGPT | 1058 | 10-17-2025 | CSV, JSON, run.sh, Info |