Index

Inverse Atomic Structure Design

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

Colab notebook example

• Number of contributions: 42

Category	Sub-category	Benchmark	Method	Metric	Score	Team	Dataset	Size
AI	AtomGen	dft_3d_Tc_supercon	flowmm_invatoms	RMSE	0.3211	AtomGPT	dft_3d	1058
AI	AtomGen	dft_3d_Tc_supercon_c	cdvae_invatoms	MAE	0.6394	AtomGPT	dft_3d	1058
AI	AtomGen	alex_supercon_Tc	flowmm_invatoms	RMSE	0.383	AtomGPT	alex_supercon	8253
AI	AtomGen	dft_3d_Tc_supercon_a	cdvae_invatoms	MAE	0.4899	AtomGPT	dft_3d	1058
AI	AtomGen	alex_supercon_Tc_alpha	cdvae_invatoms	MAE	8.1802	AtomGPT	alex_supercon	8253
AI	AtomGen	alex_supercon_Tc_a	cdvae_invatoms	MAE	0.3137	AtomGPT	alex_supercon	8253
AI	AtomGen	alex_supercon_Tc_c	cdvae_invatoms	MAE	0.3671	AtomGPT	alex_supercon	8253
AI	AtomGen	alex_supercon_Tc_b	cdvae_invatoms	MAE	0.2798	AtomGPT	alex_supercon	8253
AI	AtomGen	dft_3d_Tc_supercon_alpha	cdvae_invatoms	MAE	7.8458	AtomGPT	dft_3d	1058
AI	AtomGen	dft_3d_Tc_supercon_b	cdvae_invatoms	MAE	0.2919	AtomGPT	dft_3d	1058
AI	AtomGen	dft_3d_Tc_supercon_gamma	cdvae_invatoms	MAE	11.4844	AtomGPT	dft_3d	1058
AI	AtomGen	dft_3d_Tc_supercon_beta	cdvae_invatoms	MAE	5.1137	AtomGPT	dft_3d	1058
AI	AtomGen	alex_supercon_Tc_gamma	cdvae_invatoms	MAE	6.4951	AtomGPT	alex_supercon	8253
AI	AtomGen	alex_supercon_Tc_beta	cdvae_invatoms	MAE	6.8199	AtomGPT	alex_supercon	8253