Tie-Yan Liu

5PUBLICATIONS
14CO-AUTHORS
Theoretical quantum chemistryBiomolecular modelling and designGeospatial information systems and geospatial data modellingMicroelectromechanical systems (MEMS)
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Publications (5)

|Nov 07, 2024
Ab initio characterization of protein molecular dynamics with AI2BMD.

Tong Wang, Xinheng He, Mingyu Li

|Oct 30, 2024
TamGen: drug design with target-aware molecule generation through a chemical language model.

Kehan Wu, Yingce Xia, Pan Deng

|Jul 17, 2023
Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics.

Zun Wang, Hongfei Wu, Lixin Sun

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