MolRep: A Deep Representation Learning Library for Molecular Property Prediction
Jiahua Rao, Shuangjia Zheng, Ying Song, Jianwen Chen, Chengtao Li, Jiancong Xie, Hui Yu Yang, Hongming Chen, Yuedong Yang
The paper develops MolRep, a library unifying 16 molecular representation models, and evaluates them on 12 benchmarks to identify top-performing models for property prediction.
bioRxiv · Jan 13, 2021 · PreprintBioinformatics