OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features 论文

2020The Journal of Chemical Physics引用 230
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Machine Learning in Materials ScienceComputational Drug Discovery MethodsAdvanced Graph Neural Networks
人工智能Computational Drug Discovery MethodsMachine Learning in Materials ScienceAdvanced Graph Neural Networks
相关技术:Advanced Graph Neural NetworksComputational Drug Discovery MethodsMachine Learning in Materials Science
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