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ResearchFormerly WizWand

Stable structure prediction on Carbon-24

88.47Match RateDiffCSP
-3.081220.686944.45568.2231Jul 30, 2023Oct 30, 2023Jan 31, 2024May 2, 2024Aug 3, 2024Nov 3, 2024Feb 4, 2025
Updated 6mo ago

Evaluation results

MethodLinks
DiffCSP# of samples=202023.0788.470.2192
CDVAE# of samples=202023.0788.370.2286
P-cG-SchNet# of samples=202023.0755.910.3551
deCIFerevaluation protocol=single-sample, seeds=32025.0237.960.2028
FlowMM2024.0623.470.4122
CrystaLLM-smallevaluation protocol=single-sample2025.0221.130.1687
CrystaLLM-largeevaluation protocol=single-sample2025.0220.250.1761
U-deCIFerevaluation protocol=single-sample, seeds=32025.0217.60.1532
DiffCSP2024.0617.540.2759
DiffCSP# of samples=12023.0717.540.2759
DiffCSPevaluation protocol=single-sample2025.0217.540.2759
P-cG-SchNet# of samples=12023.0717.290.3846
CDVAE2024.0617.090.2969
CDVAE# of samples=12023.0717.090.2969
CDVAEevaluation protocol=single-sample2025.0217.090.2969
RS# of samples=202023.0714.630.4041
RS# of samples=5,0002023.0714.630.4041
BO# of samples=5,0002023.0712.170.4089
PSO# of samples=5,0002023.076.50.4211
PSO# of samples=202023.076.40.4204
BO# of samples=202023.070.440.3653