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Yanheng Li

2PUBLICATIONS

6CO-AUTHORS

Computational chemistryBiomolecular modelling and design

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Publications (2)

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|Jun 25, 2026

GPU Accelerated Minimal Auxiliary Basis Approach TDDFT for Large Organic Molecules.

|May 13, 2026

MolSculptor: An Adaptive Diffusion-Evolution Framework Enabling Generative Drug Design for Multitarget Affinity and Selectivity.

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Qiming Sun

Frequent Collaborators

2 joint publications

Yi Qin Gao

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Jun Zhang

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Yundong Wu

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Zehao Zhou