OC20NEB benchmark dataset generated by NEBscape
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OC20NEB dataset was used for benchmark of NEBscape code using Equiformer v2 31M model. Minima hopping and NEB geometries are included in xyz format.
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Zenodo创建时间:
2026-07-18

OC20NEB dataset was used for benchmark of NEBscape code using Equiformer v2 31M model. Minima hopping and NEB geometries are included in xyz format.