Published July 25, 2025
| Version v1
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Datasets TS1-TS4
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Description
TS1–TS4 test sets (structures, energies, forces, and stresses) for uMLIP benchmarking (see [J. Chem. Theory Comput. 2025, 21, 16, 8142–8150, https://doi.org/10.1021/acs.jctc.5c00955]).
Files
Datasets_TS1_TS4.json
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(549.8 kB)
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