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Bai Xue

3PUBLICATIONS

19CO-AUTHORS

Atomic and molecular physicsComputational chemistry

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Publications (3)

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|Apr 13, 2026

TripK<sub><i>a</i></sub>: Accurate and Scalable Acid-Base Dissociation Property Prediction via Triplet Interaction Networks and Physical Knowledge.

Wentao Wei, Jiahua Rao, Bai Xue

|Dec 29, 2023

Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation.

Bai Xue, Qingyi Yang, Qiaochu Zhang

|Nov 26, 2022

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field.

Lorenzo D'Amore, David F Hahn, David L Dotson

Pageof 1

Frequent Collaborators

2 joint publications

Mingjun Yang

1 joint publications

Lorenzo D'Amore

1 joint publications

Jamshed Anwar

1 joint publications

Thomas Fox

1 joint publications

Alberto Gobbi

1 joint publications

Sirish Kaushik Lakkaraju

1 joint publications

Xavier Lucas

1 joint publications

Christina E M Schindler

1 joint publications

William C Swope

1 joint publications

Pieter J In 't Veld

Frequent Collaborators

2 joint publications

Mingjun Yang

1 joint publications

Lorenzo D'Amore

1 joint publications

Jamshed Anwar

1 joint publications

Thomas Fox

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