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Bioinformatics (Oxford, England)|February 16, 2019
DeepAffinity: interpretable deep learning of compound-protein affinity through unified recurrent and convolutional neural networksMostafa Karimi, Di Wu, Zhangyang Wang, et al.
Journal of Chemical Information and Modeling|December 21, 2020
Explainable Deep Relational Networks for Predicting Compound-Protein Affinities and ContactsMostafa Karimi, Di Wu, Zhangyang Wang, et al.
Bioinformatics (Oxford, England)|November 14, 2018
iCFN: an efficient exact algorithm for multistate protein designMostafa Karimi, Yang Shen
Bioinformatics (Oxford, England)|July 14, 2020
Network-principled deep generative models for designing drug combinations as graph setsMostafa Karimi, Arman Hasanzadeh, Yang Shen
... International Conference on Learning Representations|July 8, 2026
Graph Domain Adaptation via Theory-Grounded Spectral RegularizationYuning You, Tianlong Chen, Zhangyang Wang, et al.
Journal of Chemical Information and Modeling|September 18, 2020
De Novo Protein Design for Novel Folds Using Guided Conditional Wasserstein Generative Adversarial NetworksMostafa Karimi, Shaowen Zhu, Yue Cao, et al.
Proceedings of the ... International Conference on Web Search & Data Mining. International Conference on Web Search & Data Mining|June 1, 2022
Bringing Your Own View: Graph Contrastive Learning without Prefabricated Data AugmentationsYuning You, Tianlong Chen, Zhangyang Wang, et al.
Advances in Neural Information Processing Systems|June 9, 2020
Learning to Optimize in SwarmsYue Cao, Tianlong Chen, Zhangyang Wang, et al.
Proceedings of Machine Learning Research|December 7, 2020
When Does Self-Supervision Help Graph Convolutional Networks?Yuning You, Tianlong Chen, Zhangyang Wang, et al.
Human Mutation|May 31, 2019
Predicting pathogenicity of missense variants with weakly supervised regressionYue Cao, Yuanfei Sun, Mostafa Karimi, et al.
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