Index

Inverse Atomic Structure Design

See: https://doi.org/10.1021/acs.jpclett.3c01260

Colab notebook example

• Number of contributions: 5

Category	Sub-category	Benchmark	Method	Metric	Score	Team	Dataset	Size
AI	AtomGen	carbon24_energy_per_atom	cdvae_model	RMSE	0.3581	CDVAE	carbon24	10153
AI	AtomGen	dft_3d_Tc_supercon	cdvae_model	RMSE	0.3557	CDVAE	dft_3d	1056