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Datasets for manuscript: "$\Delta$-model correction of Foundation Model based on the models own understanding"

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NIAID Data Ecosystem2026-05-02 收录
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https://zenodo.org/record/15090224
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Data supporting the findings presented in $\Delta$-model correction of Foundation Model based on the models own understanding. Contains datasets for - Cu(111) ultrathin oxides in a c(8x4) surface cell. - Sulfur on Au(111). Sets resulting from global optimization, "search"-sets have been constructed by filtering structures according to their graph representation. Most of the dataset corresponds to specific figures in the manuscript: - Figure 3: Files in copper_oxide/chg_search/ and copper_oxide/delta_search/ - Figure 4: Files in copper_oxide/chgnet_best/ and copper_oxide/delta_best/ - Figure 5: Files in gold_sulfide/chg_search/ and gold_sulfide/delta_search/ - Figure 6: Files in gold_sulfide/chg_best and gold_sulfide/delta_best - Figure 7: Files in metal_sulfides/s7_structures/ - Figure 8 & 9: Files in metal_sulfides/dimer_trajectories/
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2025-03-27
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