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Shuxin Zheng

GeoMFormer: A General Architecture for Geometric Molecular Representation Learning

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Jun 24, 2024
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Towards Generalist Prompting for Large Language Models by Mental Models

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Feb 28, 2024
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Control Risk for Potential Misuse of Artificial Intelligence in Science

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Dec 11, 2023
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Inverse Design of Vitrimeric Polymers by Molecular Dynamics and Generative Modeling

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Dec 06, 2023
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M-OFDFT: Overcoming the Barrier of Orbital-Free Density Functional Theory for Molecular Systems Using Deep Learning

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Sep 28, 2023
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Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning

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Jun 08, 2023
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Invertible Rescaling Network and Its Extensions

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Oct 09, 2022
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One Transformer Can Understand Both 2D & 3D Molecular Data

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Oct 04, 2022
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Predicting the protein-ligand affinity from molecular dynamics trajectories

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Aug 19, 2022
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Quantized Training of Gradient Boosting Decision Trees

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Jul 20, 2022
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