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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 root mean squared error (RMSE) for bondlengths 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://colab.research.google.com/corgiredirector?site=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facs.jpclett.3c01260&link_redirector=1, https://doi.org/10.1021/acs.jpclett.3c01260

Model benchmarks

Model nameDataset RMSE Team name Dataset size Date submitted Notes
cdvae_modeldft_3d0.3557CDVAE105607-30-2023CSV, JSON, run.sh, Info