no code implementations • 8 Oct 2023 • Rong Zhang, Rongqing Yuan, Boxue Tian
Findings in this study support the application of PointGAT as a powerful and versatile tool for quantum chemical property prediction that can facilitate high-accuracy modeling for fundamental exploration of chemical space as well as drug design and molecular engineering.
1 code implementation • 28 Jun 2023 • Yufan Liu, Boxue Tian
We trained the CLAPE-DB model on the protein-DNA binding sites dataset and evaluated the model performance and generalization ability through various experiments.