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    14 repositories

    • PASSerRank

      Public
      Python
      •4•6•1•0•Updated Jun 14, 2023Jun 14, 2023

    • ADMET_XGBoost

      Public
      Accurate ADMET Prediction with XGBoost
      python3admet
      Python
      •
      GNU General Public License v3.0
      •9•31•0•0•Updated Mar 25, 2023Mar 25, 2023

    • VAE_protein_assessment

      Public
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •1•1•0•0•Updated Feb 7, 2023Feb 7, 2023

    • LAST

      Public
      LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories
      python3molecular-dynamics-simulation
      Python
      •
      GNU General Public License v3.0
      •0•10•0•0•Updated Dec 17, 2022Dec 17, 2022

    • smu-tao-group.github.io

      Public
      HTML
      •
      Apache License 2.0
      •1•3•0•0•Updated Nov 8, 2022Nov 8, 2022

    • nerfpy

      Public
      NeRFpy: A Python implementation and extension of Natural Extension Reference Frame.
      Python
      •
      Apache License 2.0
      •0•1•0•0•Updated Oct 20, 2022Oct 20, 2022

    • xymol

      Public
      XYMOL: A Python package to understand and explain atom/bond contributions of small molecules in machine learning models.
      Python
      •
      Apache License 2.0
      •1•2•0•0•Updated Oct 19, 2022Oct 19, 2022

    • PASSer2.0

      Public
      Python
      •
      MIT License
      •1•5•0•0•Updated Mar 17, 2022Mar 17, 2022

    • passerAPI

      Public
      Shell
      •0•1•0•0•Updated Feb 15, 2022Feb 15, 2022

    • py_package_template

      Public
      Python package template
      Python
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Feb 7, 2022Feb 7, 2022

    • PublishedPapers

      Public
      A collection of codes for published papers.
      0•0•0•0•Updated Dec 2, 2021Dec 2, 2021

    • .github

      Public
      0•0•0•0•Updated Nov 20, 2021Nov 20, 2021

    • protein-VAE

      Public
      Python
      •
      Apache License 2.0
      •2•3•1•1•Updated Oct 30, 2021Oct 30, 2021

    • 2021-summer-research

      Public archive
      Tcl
      •1•1•1•0•Updated Jul 20, 2021Jul 20, 2021