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    5 repositories

    • HydrationSitePrediction

      Public
      Python
      •
      MIT License
      •0•1•0•0•Updated Jan 31, 2025Jan 31, 2025

    • MMiDD_MolecularDocking

      Public
      Molecular Docking Tutorial
      Jupyter Notebook
      •0•1•0•0•Updated Nov 12, 2024Nov 12, 2024

    • ester-prediction

      Public
      Computational Prediction of De-Esterification by Human Carboxylesterases 1 and 2
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Sep 5, 2021Sep 5, 2021

    • GaMD-OpenMM

      Public
      Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calculations of biomolecules. It works by adding a harmonic boost potential to smooth the potential energy surface and reduce system energy barriers. http://miao.compbio.ku.edu/GaMD/
      Python
      •
      MIT License
      •22•0•0•0•Updated Sep 3, 2021Sep 3, 2021

    • tl-docker

      Public
      ThinLinc Server in a Docker
      Shell
      •23•0•0•0•Updated Jul 13, 2021Jul 13, 2021