Skip to content
@bio-phys

bio-phys

Popular repositories

  1. MDBenchmark MDBenchmark Public

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

    Python 72 17

  2. PyDHAMed PyDHAMed Public

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

    Jupyter Notebook 19 7

  3. 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 19 5

  4. pydiffusion pydiffusion Public

    Analyse Rotational Diffusion Tensor from MD Simulations

    Jupyter Notebook 17 3

  5. cadishi cadishi Public

    Cadishi: CAlculation of DIStance HIstograms

    Python 15

  6. BioEn BioEn Public

    BioEn - Bayesian Inference Of ENsembles

    Python 14 8

Repositories

Showing 10 of 40 repositories
  • BioEn.jl Public

    BioEn optimization

    Julia 0 MIT 0 0 0 Updated Apr 19, 2024
  • asyncmd Public

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

    Python 8 GPL-3.0 3 3 (1 issue needs help) 0 Updated Apr 15, 2024
  • aimmd Public
    Python 10 GPL-3.0 1 2 2 Updated Apr 15, 2024
  • trimem Public

    Monte Carlo sampling of the Helfrich bending energy.

    C++ 5 GPL-3.0 4 0 1 Updated Feb 12, 2024
  • BioEn Public

    BioEn - Bayesian Inference Of ENsembles

    Python 14 8 0 5 Updated Feb 6, 2024
  • hierarchical-chain-growth Public

    Grow ensembles of disordered biomolecules from fragment libraries

    Python 6 GPL-3.0 1 1 0 Updated Jan 26, 2024
  • 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.

    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.

    Julia 2 GPL-3.0 1 0 5 Updated Aug 7, 2023
  • complexespp Public

    Coarse-grained simulations of biomolecular complexes

    C++ 8 3 10 1 Updated Aug 2, 2023