"3DReact: Geometric Deep Learning for Chemical Reactions."

Puck van Gerwen et al. (2024)

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DOI: 10.1021/ACS.JCIM.4C00104

access: open

type: Journal Article

metadata version: 2024-12-09

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  - https://dblp.org/rec/journals/jcisd/GerwenBBSLKC24
Puck van Gerwen, Ksenia R. Briling, Charlotte Bunne, Vignesh Ram Somnath, Rubén Laplaza, Andreas Krause, Clémence Corminboeuf:
3DReact: Geometric Deep Learning for Chemical Reactions. J. Chem. Inf. Model. 64(15): 5771-5785 (2024)

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