[其他] ICML-An End-to-End Framework for Molecular Conformation Generation via Bile ... [推广有奖]

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发表于 2025-8-10 21:05:18 |AI写论文

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An End-to-End Framework for Molecular Conformation Generation
            via Bilevel Programming

            Minkai Xu 1 2 Wujie Wang 3 Shitong Luo 4 Chence Shi 1 2
            Yoshua Bengio 1 2 5 Rafael Gomez-Bombarelli 3 Jian Tang 1 5 6

            Abstract                though this is empirically effective, in reality molecules are
                                 better represented as 3D structures (also known as confor-
Predicting molecular conformations (or 3D struc ...