Projects in Awesome Lists tagged with moleculardynamics
A curated list of projects in awesome lists tagged with moleculardynamics .
https://github.com/reyrove/molecular-dynamics
A set of LAMMPS simulations for FCC lattice systems, including copper deposition, metal interactions, and GCMC simulations. Perfect for material science exploration!
atomicsimulations computationalmaterials computationalscience copperdeposition fccsimulations gcmc lammps lammpssimulations materialscience materialsmodeling metalinteractions moleculardynamics physicssimulations sciencesimulations simulationtools
Last synced: 02 Apr 2025
https://github.com/becksteinlab/basicrta
Bayesian nonparametric inference of ligand binding kinetics from molecular dynamics simulations.
bayesian-inference lipids md mdanalysis moleculardynamics python
Last synced: 12 Apr 2025
