Model for carbon material design

• Description: This is a benchmark to evaluate how accurately a generative model can generate atomic structures with desired formation energy per atom using the carbon24 dataset. The dataset contains different types of chemical formula and atomic structures. Here we use root mean squared error (RMSE) for bond lengths to compare models. External links: https://github.com/txie-93/cdvae, https://arxiv.org/abs/2110.06197,
  

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/10.1088/0953-8984/23/5/053201

Model benchmarks

Model name	Dataset	RMSE	Team name	Dataset size	Date submitted	Notes
cdvae_model	carbon24	0.3581	CDVAE	10153	07-30-2023	CSV, JSON, run.sh, Info