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Tao Research Group @SMU

README.md

Tao Research Group @SMU

Welcome to the Tao Research Group in the Department of Chemistry at SMU!

Our group focuses on developing highly efficient and accurate computational methods to calculate free energy for chemical reactions and biological processes. We are also applying these novel free methods in combination of powerful computational tools, such as molecular dynamics (MD) and quantum mechanics (QM), to solve real world chemistry and biology problems.

You can follow us on our Homepage, Facebook, Twitter, and Google Scholar.

We are actively hiring Ph.D. students! Please see Join Us for more information.

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  • PASSerRank Public
    smu-tao-group/PASSerRank’s past year of commit activity
    Python 5 4 0 0 Updated Jun 14, 2023
  • ADMET_XGBoost Public

    Accurate ADMET Prediction with XGBoost

    smu-tao-group/ADMET_XGBoost’s past year of commit activity
    Python 27 GPL-3.0 9 0 0 Updated Mar 25, 2023
  • VAE_protein_assessment Public Forked from SianXiaoCHN/Proj_1.ae_benchmark
    smu-tao-group/VAE_protein_assessment’s past year of commit activity
    Jupyter Notebook 1 GPL-3.0 1 0 0 Updated Feb 7, 2023
  • LAST Public

    LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories

    smu-tao-group/LAST’s past year of commit activity
    Python 10 GPL-3.0 0 0 0 Updated Dec 17, 2022
  • smu-tao-group.github.io Public
    smu-tao-group/smu-tao-group.github.io’s past year of commit activity
    HTML 2 Apache-2.0 1 0 0 Updated Nov 8, 2022
  • nerfpy Public

    NeRFpy: A Python implementation and extension of Natural Extension Reference Frame.

    smu-tao-group/nerfpy’s past year of commit activity
    Python 1 Apache-2.0 0 0 0 Updated Oct 20, 2022
  • xymol Public

    XYMOL: A Python package to understand and explain atom/bond contributions of small molecules in machine learning models.

    smu-tao-group/xymol’s past year of commit activity
    Python 2 Apache-2.0 1 0 0 Updated Oct 19, 2022
  • PASSer2.0 Public
    smu-tao-group/PASSer2.0’s past year of commit activity
    Python 5 MIT 1 0 0 Updated Mar 17, 2022
  • passerAPI Public
    smu-tao-group/passerAPI’s past year of commit activity
    Shell 1 0 0 0 Updated Feb 15, 2022
  • py_package_template Public

    Python package template

    smu-tao-group/py_package_template’s past year of commit activity
    Python 1 GPL-3.0 0 0 0 Updated Feb 7, 2022
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