Molecule Joint Auto-Encoding: Trajectory Pretraining with 2D and 3D Diffusion

Weitao Du, Jiujiu Chen, Xuecang Zhang, Zhi-Ming Ma, Shengchao Liu. Molecule Joint Auto-Encoding: Trajectory Pretraining with 2D and 3D Diffusion. In Alice Oh, Tristan Naumann, Amir Globerson, Kate Saenko, Moritz Hardt, Sergey Levine, editors, Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, NeurIPS 2023, New Orleans, LA, USA, December 10 - 16, 2023. 2023. [doi]

Authors

Weitao Du

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Jiujiu Chen

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Xuecang Zhang

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Zhi-Ming Ma

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Shengchao Liu

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