Data and scripts for "AIMNet2-rxn: A Machine Learned Potential for Generalized Reaction Modeling on a Millions-of-Pathways Scale" paper
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下载链接：
https://figshare.com/articles/dataset/Data_and_scripts_for_AIMNet2-rxn_A_Machine_Learned_Potential_for_Generalized_Reaction_Modeling_on_a_Millions-of-Pathways_Scale_paper/31920972
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资源简介：
aimnet2_rxn_refs.tar.gz provides ML model, geometries and other raw computational data required to reproduce results of the paper.
Dylan M. Anstine, Qiyuan Zhao, Roman Zubatiuk, et al. AIMNet2-rxn: A Machine Learned Potential for Generalized Reaction Modeling on a Millions-of-Pathways Scale. ChemRxiv. 24 June 2025.
DOI: https://doi.org/10.26434/chemrxiv-2025-hpdmg
创建时间：
2026-04-02
