Metapath-fused heterogeneous graph network for molecular property prediction

2023/01/30 by Ying Ji, Guojia Wan, Yibing Zhan +1
Computer Science · Materials Science · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics

paper · doi:10.1016/j.ins.2023.01.092

Citations

• Quantum-chemical insights from deep tensor neural networks