PEMP: Leveraging Physics Properties to Enhance Molecular Property Prediction

no code implementations • 18 Oct 2022 • Yuancheng Sun, Yimeng Chen, Weizhi Ma, Wenhao Huang, Kang Liu, ZhiMing Ma, Wei-Ying Ma, Yanyan Lan

In our implementation, we adopt both the state-of-the-art molecule embedding models under the supervised learning paradigm and the pretraining paradigm as the molecule representation module of PEMP, respectively.

Drug Discovery Molecular Property Prediction +2