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mac_HER_supplimentary

mace
materials-science
MACE
machine-learning-interatomic-potential
DFT
VASP
hydrogen-evolution-reaction
electrocatalysis
monolayer-amorphous-carbon
2D-materials
Model card Files
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mac_HER_supplimentary

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  6. Upload MACE_relax.py

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  16. Delete dft

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  18. Delete dft_deltaG_benchmark

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  19. Create dft_deltaG_benchmark

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  22. initial commit

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