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"Leveraging 2D molecular graph pretraining for improved 3D conformer ..."
Kumail Alhamoud et al. (2024)
- 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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