The source of the votca-csg and xtp packages
-
Updated
Sep 29, 2024 - C++
The source of the votca-csg and xtp packages
C++ package that provides tools for correcting structural predictions of proteins (eg. from X-Ray Crystallography or AlphaFold) using X-ray small-angle scattering (SAXS) in solution
A mesh free molecular dynamics (MD) simulation for a fluid in an isothermal container
Microstate Sparse Reconstruction (MSR): a backmapping method that recovers all-atom structures from reduced/coarse-grained variables
Kernel Density Estimation of radial, bond, angle, torsion angle, and improper angle distribution functions of an atomic or coarse-grained molecular system.
Add a description, image, and links to the coarse-grained-molecular-dynamics topic page so that developers can more easily learn about it.
To associate your repository with the coarse-grained-molecular-dynamics topic, visit your repo's landing page and select "manage topics."