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Exploring Chemical Space with Score-based Out-of-distribution Generation

Seul Lee, Jaehyeong Jo, Sung Ju Hwang. Exploring Chemical Space with Score-based Out-of-distribution Generation. In Andreas Krause 0001, Emma Brunskill, KyungHyun Cho, Barbara Engelhardt, Sivan Sabato, Jonathan Scarlett, editors, International Conference on Machine Learning, ICML 2023, 23-29 July 2023, Honolulu, Hawaii, USA. Volume 202 of Proceedings of Machine Learning Research, pages 18872-18892, PMLR, 2023. [doi]

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Seul Lee

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Jaehyeong Jo

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Sung Ju Hwang

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