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Molecular Design lab

Molecular Design lab

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  1. OpenMMDL OpenMMDL Public

    Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes

    Python 70 11

  2. pyrod pyrod Public

    PyRod - Tracing water molecules in molecular dynamics simulations

    Python 46 7

  3. dynophores dynophores Public

    Dynamic pharmacophore modeling of molecular interactions

    Promela 31 7

  4. europin-website europin-website Public

    CSS 2

Repositories

Showing 4 of 4 repositories
  • OpenMMDL Public

    Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes

    wolberlab/OpenMMDL’s past year of commit activity
    Python 70 MIT 11 11 2 Updated Dec 2, 2024
  • dynophores Public

    Dynamic pharmacophore modeling of molecular interactions

    wolberlab/dynophores’s past year of commit activity
    Promela 31 MIT 7 10 1 Updated Apr 26, 2024
  • europin-website Public
    wolberlab/europin-website’s past year of commit activity
    CSS 2 GPL-3.0 0 0 0 Updated Sep 14, 2023
  • pyrod Public

    PyRod - Tracing water molecules in molecular dynamics simulations

    wolberlab/pyrod’s past year of commit activity
    Python 46 GPL-2.0 7 6 0 Updated Jan 5, 2021

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