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SCF Savings Prediction on Catalyst unary (train)

45N+ Count

SCN

Updated 1mo ago

Evaluation Results

Method	Links
SCN 2023.10		45	0.96	0.6	0.3	7.3	-0.1

SOTA Paper

SCN

Towards Combinatorial Generalization for Catalysts: A Kohn-Sham Charge-Density Approach

Dataset

Catalyst

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SCF Savings Prediction on Catalyst binary (train)SCF Savings Prediction on Catalyst binary (test)SCF Savings Prediction on Catalyst ternary (test)Relative iterations saved at convergence on Materials Project Unary (train)Relative iterations saved at convergence on Materials Project Binary (train)

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