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Yi Qin Gao

ProtTeX: Structure-In-Context Reasoning and Editing of Proteins with Large Language Models

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Mar 13, 2025
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ProTeX: Structure-In-Context Reasoning and Editing of Proteins with Large Language Models

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Mar 11, 2025
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Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms using Molecular Configuration Transformer

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Dec 31, 2023
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Machine-Learned Invertible Coarse Graining for Multiscale Molecular Modeling

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May 02, 2023
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DSDP: A Blind Docking Strategy Accelerated by GPUs

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Mar 16, 2023
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Few-Shot Learning of Accurate Folding Landscape for Protein Structure Prediction

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Aug 20, 2022
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PSP: Million-level Protein Sequence Dataset for Protein Structure Prediction

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Jun 24, 2022
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Molecular CT: Unifying Geometry and Representation Learning for Molecules at Different Scales

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Dec 24, 2020
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Deep Reinforcement Learning of Transition States

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Nov 13, 2020
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A Perspective on Deep Learning for Molecular Modeling and Simulations

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Apr 25, 2020
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