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Chence Shi

Fusing Neural and Physical: Augment Protein Conformation Sampling with Tractable Simulations

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Feb 16, 2024
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Protein Sequence and Structure Co-Design with Equivariant Translation

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Oct 17, 2022
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E3Bind: An End-to-End Equivariant Network for Protein-Ligand Docking

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Oct 12, 2022
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A Roadmap for Big Model

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Apr 02, 2022
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GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation

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Mar 06, 2022
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TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery

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Feb 16, 2022
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Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction

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Jun 08, 2021
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Learning Gradient Fields for Molecular Conformation Generation

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Jun 07, 2021
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An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming

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Jun 02, 2021
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MARS: Markov Molecular Sampling for Multi-objective Drug Discovery

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Mar 18, 2021
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