OMNI-P2x materials
收藏NIAID Data Ecosystem2026-05-10 收录
下载链接：
https://figshare.com/articles/dataset/OMNI-P2x_materials/28794599
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资源简介：
Dataset related to the manuscript "OMNI-P2x: A Universal neural network potential for excited-state simulations", DOI:10.1038/s41467-026-71380-5
Contains the following:
Structures of the 500k azobenzene derivatives used in the screening process: "azb_generated.tar.gz"Results of TD-DFT/B3LYP calculations for azobenzene derivatives: DFT_azobenzenes.zipExample 1000 trajectories of fulvene NAMD propagationInitial conditions for the 10k fulvene trajectories
创建时间：
2026-04-01
