no code implementations • 28 Dec 2023 • Bangyi Zhao, Weixia Xu, Jihong Guan, Shuigeng Zhou
Following that, we conduct graph structure learning on the MSG (i. e., molecule-level graph structure learning) to get the final molecular embeddings, which are the results of fusing both GNN encoded molecular representations and the relationships among molecules, i. e., combining both intra-molecule and inter-molecule information.
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.