Skip to content
@bio-phys

bio-phys

Popular repositories Loading

  1. MDBenchmark MDBenchmark Public

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

    Python 75 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 20 6

  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 17 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 40 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 8 GPL-3.0 3 2 (1 issue needs help) 1 Updated Aug 4, 2024
  • aimmd Public
    bio-phys/aimmd’s past year of commit activity
    Python 9 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 7 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 1 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
  • VantHoffFitting Public

    Nonlinear least squares fitting of van 't Hoff plots via cubic splines, which makes the extraction of heat capacity and thermodynamic potentials possible.

    bio-phys/VantHoffFitting’s past year of commit activity
    Julia 0 MIT 0 0 5 Updated Aug 7, 2023
  • ForceSpectroscopyMLE Public

    Analyze rupture force spectra from single-molecule force spectroscopy experiments to extract disassociation rates and parameters characterizing the free-energy profile underlying the bond.

    bio-phys/ForceSpectroscopyMLE’s past year of commit activity
    Julia 2 GPL-3.0 1 0 5 Updated Aug 7, 2023
  • complexespp Public

    Coarse-grained simulations of biomolecular complexes

    bio-phys/complexespp’s past year of commit activity
    C++ 9 4 10 1 Updated Aug 2, 2023

Top languages

Loading…

Most used topics

Loading…