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  1. MDBenchmark MDBenchmark Public

    Quickly generate, start and analyze benchmarks for molecular dynamics simulations.

    Python 76 17

  2. cnt-gaff cnt-gaff Public

    Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.

    Rich Text Format 21 7

  3. PyDHAMed PyDHAMed Public

    Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations

    Jupyter Notebook 19 7

  4. pydiffusion pydiffusion Public

    Analyse Rotational Diffusion Tensor from MD Simulations

    Jupyter Notebook 16 3

  5. BioEn BioEn Public

    BioEn - Bayesian Inference Of ENsembles

    Python 16 8

  6. cadishi cadishi Public

    Cadishi: CAlculation of DIStance HIstograms

    Python 15

Repositories

Showing 10 of 41 repositories
  • asyncmd Public

    asyncmd is a library to write concurrent code for setup, run and analysis of molecular dynamics simulations using pythons async/await synthax.

    bio-phys/asyncmd’s past year of commit activity
    Python 9 GPL-3.0 3 2 (1 issue needs help) 0 Updated Nov 21, 2024
  • pydiffusion Public

    Analyse Rotational Diffusion Tensor from MD Simulations

    bio-phys/pydiffusion’s past year of commit activity
    Jupyter Notebook 16 3 0 0 Updated Oct 31, 2024
  • bio-phys/af2_lir_screen’s past year of commit activity
    Python 1 GPL-3.0 0 0 0 Updated Sep 12, 2024
  • MDBenchmark Public

    Quickly generate, start and analyze benchmarks for molecular dynamics simulations.

    bio-phys/MDBenchmark’s past year of commit activity
    Python 76 17 10 4 Updated Sep 5, 2024
  • aimmd Public
    bio-phys/aimmd’s past year of commit activity
    Python 10 GPL-3.0 1 0 1 Updated Jul 25, 2024
  • hierarchical-chain-growth Public

    Grow ensembles of disordered biomolecules from fragment libraries

    bio-phys/hierarchical-chain-growth’s past year of commit activity
    Python 8 GPL-3.0 1 1 0 Updated Jul 24, 2024
  • trimem Public

    Monte Carlo sampling of the Helfrich bending energy.

    bio-phys/trimem’s past year of commit activity
    C++ 5 GPL-3.0 4 0 2 Updated May 29, 2024
  • BioEn.jl Public

    BioEn optimization

    bio-phys/BioEn.jl’s past year of commit activity
    Julia 0 MIT 0 0 0 Updated Apr 19, 2024
  • BioEn Public

    BioEn - Bayesian Inference Of ENsembles

    bio-phys/BioEn’s past year of commit activity
    Python 16 8 0 5 Updated Feb 6, 2024
  • bio-phys/RefinementModels.jl’s past year of commit activity
    Julia 0 MIT 0 0 0 Updated Oct 12, 2023

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