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"Augmenting Molecular Graphs with Geometries via Machine Learning ..."
Cong Fu et al. (2025)
- Cong Fu, Yuchao Lin, Zachary Krueger, Haiyang Yu, Maho Nakata, Jianwen Xie, Emine Küçükbenli, Xiaofeng Qian, Shuiwang Ji:
Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials. CoRR abs/2507.00407 (2025)

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