Updated 9 months ago
https://github.com/bio-phys/pydhamed
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
Updated 9 months ago
https://github.com/bio-phys/kinetics-remd
Extracting kinetics from replica exchange molecular dynamics and related methods that produce discontinuous trajectories.
Updated 9 months ago
https://github.com/bio-phys/nix-lir-binding-to-wipi2d
Updated 9 months ago
speadi
A Python package that aims to characterise the dynamics of local chemical environments from Molecular Dynamics trajectories of proteins and other biomolecules. Public mirror of https://gitlab.jsc.fz-juelich.de/slbio/speadi.