共 50 条
- [2] Property Prediction of Functional Organic Molecular Crystals with Graph Neural Networks [J]. PRACTICE AND EXPERIENCE IN ADVANCED RESEARCH COMPUTING 2024, PEARC 2024, 2024,
- [3] Quantitative evaluation of explainable graph neural networks for molecular property prediction [J]. PATTERNS, 2022, 3 (12):
- [4] Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction [J]. 2021 INTERNATIONAL JOINT CONFERENCE ON NEURAL NETWORKS (IJCNN), 2021,
- [5] Cross-dependent graph neural networks for molecular property prediction [J]. BIOINFORMATICS, 2022, 38 (07) : 2003 - 2009
- [7] InvarNet: Molecular property prediction via rotation invariant graph neural networks [J]. Machine Learning with Applications, 2024, 18
- [8] Extended study on atomic featurization in graph neural networks for molecular property prediction [J]. Journal of Cheminformatics, 15