no code implementations • 13 Mar 2023 • Ziqiao Zhang, Ailin Xie, Jihong Guan, Shuigeng Zhou
Contrastive learning have been widely used as pretext tasks for self-supervised pre-trained molecular representation learning models in AI-aided drug design and discovery.
1 code implementation • 15 Feb 2023 • Ziqiao Zhang, Bangyi Zhao, Ailin Xie, Yatao Bian, Shuigeng Zhou
In this paper, we first introduce ACNet, a large-scale dataset for AC prediction.
no code implementations • 21 Aug 2022 • Ziqiao Zhang, Yatao Bian, Ailin Xie, Pengju Han, Long-Kai Huang, Shuigeng Zhou
Self-supervised pre-training is gaining increasingly more popularity in AI-aided drug discovery, leading to more and more pre-trained models with the promise that they can extract better feature representations for molecules.
no code implementations • 19 Apr 2021 • Ziqiao Zhang, Said Al-Abri, Fumin Zhang
The information of the covariance formed by the opinion state of each agent is used to achieve a dissensus equilibrium on unsigned graphs.