"Leveraging 2D molecular graph pretraining for improved 3D conformer ..."

Kumail Alhamoud et al. (2024)

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DOI: 10.1016/J.COMPCHEMENG.2024.108622

access: closed

type: Journal Article

metadata version: 2024-10-15

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Kumail Alhamoud, Yasir Ghunaim, Abdulelah S. Alshehri, Guohao Li, Bernard Ghanem, Fengqi You:
Leveraging 2D molecular graph pretraining for improved 3D conformer generation with graph neural networks. Comput. Chem. Eng. 183: 108622 (2024)

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