Geometry-enhanced molecular representation learning for property prediction.
Xiaomin FangLihang LiuJieqiong LeiDonglong HeShanzhuo ZhangJingbo ZhouFan WangHua WuHaifeng WangPublished in: Nat. Mach. Intell. (2022)
Keyphrases
- learning process
- prediction accuracy
- three dimensional
- unsupervised learning
- computer vision
- multiple representations
- learning tasks
- supervised learning
- learning systems
- knowledge acquisition
- feature hierarchies
- learning analytics
- online learning
- active learning
- mobile devices
- learning environment
- reinforcement learning