MOL-AE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective
Junwei Yang, Kangjie Zheng, Siyu Long, Zaiqing Nie, Ming Zhang, Xinyu Dai, Wei‐Ying Ma, Hao Zhou
The paper introduces a 3D molecular auto-encoder with a new training objective, achieving better performance than existing methods.
bioRxiv · Apr 13, 2024 · PreprintBioinformatics