Datasets for manuscript: "$\Delta$-model correction of Foundation Model based on the models own understanding"
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下载链接:
https://zenodo.org/record/15090224
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资源简介:
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/
创建时间:
2025-03-27



