Data underlying the publication: Performance of Meta's Universal Model for Atoms Across the Conformational and Configurational Space of Diverse Transition-Metal Catalysts
收藏DataCite Commons2026-02-25 更新2026-03-28 收录
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https://data.4tu.nl/datasets/6b178daf-e1c0-4c99-840f-06d382f37945/1
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资源简介：
We used Meta's Machine Learning Interatomic Potential (MLIP) UMA to evaluate how well it reproduces the energy rankings as calculated by DFT. The code to redo the calculations using UMA (version S-1.1). and to redo statistical analysis are present next to all used molecular structures.
提供机构：
4TU.ResearchData
创建时间：
2026-02-25
