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SCF Savings Prediction on Catalyst ternary (test)

965N+

SCN

Updated 5d ago

Evaluation Results

Method	Links
SCN 2023.10		965	86	2.7	0.4	720	-280

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 unary (train)SCF Savings Prediction on Catalyst binary (train)SCF Savings Prediction on Catalyst binary (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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