Figure 1. AtomFlow generates reactant structures from product structures in three-dimensional space. The flow model preserves atom types and counts throughout generation. The trajectory illustrates the model’s generation process, not a measured reaction (IMAGE)

AI for Science

Figure 1. AtomFlow generates reactant structures from product structures in three-dimensional space. The flow model preserves atom types and counts throughout generation. The trajectory illustrates the model’s generation process, not a measured reaction

Caption

Figure 1. AtomFlow generates reactant structures from product structures in three-dimensional space. The flow model preserves atom types and counts throughout generation. The trajectory illustrates the model’s generation process, not a measured reaction pathway. Credit: AtomFlow research team.

Credit

Enji Li, Siyu Hu, Xiao Tian, Wentao Zhang, Tao Liu, Linwang Wang and Weile Jia

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