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  1. MMiDD_MolecularDocking MMiDD_MolecularDocking Public

    Molecular Docking Tutorial

    Jupyter Notebook 1

  2. HydrationSitePrediction HydrationSitePrediction Public

    Python 1

  3. tl-docker tl-docker Public

    Forked from oposs/tl-docker

    ThinLinc Server in a Docker

    Shell

  4. ester-prediction ester-prediction Public

    Computational Prediction of De-Esterification by Human Carboxylesterases 1 and 2

    Python

  5. GaMD-OpenMM GaMD-OpenMM Public

    Forked from MiaoLab20/gamd-openmm

    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 p…

    Python

Repositories

Showing 5 of 5 repositories
  • HydrationSitePrediction Public
    lillgroup/HydrationSitePrediction’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Nov 21, 2024
  • MMiDD_MolecularDocking Public

    Molecular Docking Tutorial

    lillgroup/MMiDD_MolecularDocking’s past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Nov 12, 2024
  • ester-prediction Public

    Computational Prediction of De-Esterification by Human Carboxylesterases 1 and 2

    lillgroup/ester-prediction’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Sep 5, 2021
  • GaMD-OpenMM Public Forked from MiaoLab20/gamd-openmm

    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/

    lillgroup/GaMD-OpenMM’s past year of commit activity
    Python 0 MIT 22 0 0 Updated Sep 3, 2021
  • tl-docker Public Forked from oposs/tl-docker

    ThinLinc Server in a Docker

    lillgroup/tl-docker’s past year of commit activity
    Shell 0 23 0 0 Updated Jul 13, 2021

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