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Protein Sequence and Structure Co-Design with Equivariant Translation., , , , and . CoRR, (2022)Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction., , , , , and . ICML, volume 139 of Proceedings of Machine Learning Research, page 904-913. PMLR, (2021)E3Bind: An End-to-End Equivariant Network for Protein-Ligand Docking., , , and . ICLR, OpenReview.net, (2023)Fusing Neural and Physical: Augment Protein Conformation Sampling with Tractable Simulations., , , , and . CoRR, (2024)E3Bind: An End-to-End Equivariant Network for Protein-Ligand Docking., , , , and . CoRR, (2022)An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming., , , , , , and . ICML, volume 139 of Proceedings of Machine Learning Research, page 11537-11547. PMLR, (2021)GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation., , , , , and . ICLR, OpenReview.net, (2020)Predicting Molecular Conformation via Dynamic Graph Score Matching., , , and . NeurIPS, page 19784-19795. (2021)GeoDiff: A Geometric Diffusion Model for Molecular Conformation Generation., , , , , and . ICLR, OpenReview.net, (2022)AutoInt: Automatic Feature Interaction Learning via Self-Attentive Neural Networks., , , , , , and . CoRR, (2018)