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Molecular generative model based on conditional variational autoencoder for de novo molecular design![]() Lim, Jaechang; Ryu, Seongok; Kim, Jin Woo; Kim, Woo Youn, JOURNAL OF CHEMINFORMATICS, v.10, 2018-07 |
Rotational Variance-Based Data Augmentation in 3D Graph Convolutional Network Kim, Jihoo; Kim, Yeji; Lee, Eok Kyun; Chae, Chong Hak; Lee, Kwangho; Kim, Won June; Choi, Insung S., CHEMISTRY-AN ASIAN JOURNAL, v.16, no.18, pp.2610 - 2613, 2021-09 |
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