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@molmod

Center for Molecular Modeling (CMM), Ghent University

Technologiepark 46, 9052 Zwijnaarde, Belgium

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  1. openmm-tutorial-msbs openmm-tutorial-msbs Public

    OpenMM tutorial for the MSBS course

    Jupyter Notebook 141 46

  2. psiflow psiflow Public

    scalable molecular simulation

    Python 115 7

  3. molmod molmod Public

    MolMod is a collection of molecular modelling tools for python.

    Python 55 22

  4. QuickFF QuickFF Public

    A Python code to quickly derive ab initio parameterized force fields.

    Python 37 17

  5. yaff yaff Public

    Yaff is yet another force-field code

    Python 31 18

  6. tamkin tamkin Public

    TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.

    Python 22 15

Repositories

Showing 10 of 18 repositories
  • psiflow Public

    scalable molecular simulation

    molmod/psiflow’s past year of commit activity
    Python 115 MIT 7 4 0 Updated Aug 9, 2024
  • openmm-tutorial-msbs Public

    OpenMM tutorial for the MSBS course

    molmod/openmm-tutorial-msbs’s past year of commit activity
    Jupyter Notebook 141 46 2 0 Updated Aug 6, 2024
  • copacof Public
    molmod/copacof’s past year of commit activity
    Python 0 MIT 1 0 0 Updated Apr 24, 2024
  • molmod Public

    MolMod is a collection of molecular modelling tools for python.

    molmod/molmod’s past year of commit activity
    Python 55 GPL-3.0 22 8 3 Updated Feb 21, 2024
  • QuantumCourses Public

    Quantum mechanics related courses taught by the CMM

    molmod/QuantumCourses’s past year of commit activity
    Jupyter Notebook 1 4 0 0 Updated Nov 24, 2023
  • tamkin Public

    TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.

    molmod/tamkin’s past year of commit activity
    Python 22 GPL-3.0 15 8 3 Updated Nov 20, 2023
  • QuickFF Public

    A Python code to quickly derive ab initio parameterized force fields.

    molmod/QuickFF’s past year of commit activity
    Python 37 GPL-3.0 17 7 1 Updated Nov 7, 2023
  • pyiron Public Forked from pyiron/pyiron

    pyiron - an integrated development environment (IDE) for computational materials science.

    molmod/pyiron’s past year of commit activity
    Python 0 BSD-3-Clause 47 0 0 Updated Sep 28, 2023
  • micmec Public

    MicMec, the first implementation of the micromechanical model, ever.

    molmod/micmec’s past year of commit activity
    Python 6 GPL-3.0 0 0 0 Updated Aug 24, 2023
  • gpxrdpy Public

    Python wrapper for PXRD pattern calculation based on pyobjcryst

    molmod/gpxrdpy’s past year of commit activity
    Python 1 GPL-3.0 0 0 0 Updated Aug 22, 2023
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