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Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks.

, , , , , , , , , и . CoRR, (2021)

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Xiaoguang Luo

Jia Luo

Yongxiang Luo

Junfeng Luo

Liangping Luo

 

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Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization., , , , и . NeurIPS, (2023)Frontiers of Graph Neural Networks with DIG., , , , , , , и . KDD, стр. 4796-4797. ACM, (2022)Generating 3D Molecules for Target Protein Binding., , , , и . ICML, том 162 из Proceedings of Machine Learning Research, стр. 13912-13924. PMLR, (2022)Automated Data Augmentations for Graph Classification., , , , , , и . ICLR, OpenReview.net, (2023)3D Molecular Geometry Analysis with 2D Graphs., , , , , , , , , и . SDM, стр. 343-351. SIAM, (2024)QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules., , , , , , и . CoRR, (2023)3D Molecular Geometry Analysis with 2D Graphs., , , , , , , , , и . CoRR, (2023)Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction., , , , , и . ICML, том 202 из Proceedings of Machine Learning Research, стр. 21260-21287. PMLR, (2023)GraphDF: A Discrete Flow Model for Molecular Graph Generation., , и . ICML, том 139 из Proceedings of Machine Learning Research, стр. 7192-7203. PMLR, (2021)Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks., , , , , , , , , и . CoRR, (2021)