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Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models

Xinzhe Zheng 0003, Shiyu Jiang, Gustavo de M. Seabra, Chenglong Li, Yanjun Li 0005. Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models. In Sven Koenig, Chad Jenkins, Matthew E. Taylor, editors, Fortieth AAAI Conference on Artificial Intelligence, Thirty-Eighth Conference on Innovative Applications of Artificial Intelligence, Sixteenth Symposium on Educational Advances in Artificial Intelligence, AAAI 2026, Singapore, January 20-27, 2026. pages 1614-1622, AAAI Press, 2026. [doi]

Authors

Xinzhe Zheng 0003

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Shiyu Jiang

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Gustavo de M. Seabra

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Chenglong Li

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Yanjun Li 0005

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