Machine learning models predict calculation outcomes with the transferability necessary for computational catalysis
收藏NIAID Data Ecosystem2026-03-13 收录
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https://zenodo.org/record/6317038
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资源简介：
data files, including ML models of dynamic classifiers, trajectories of electronic structure and geometric features, optimized geometries, and final csv files.
创建时间：
2022-03-01
