Molecular dynamics simulation software
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Updated
Jun 25, 2023 - C
Molecular dynamics allows the atoms and molecules to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system.
Molecular dynamics simulation software
Python bindings for TNG file format
MD simulation for a coarse grained DNA model, parallelized by OpenMP
Local anharmonic molecular dynamics (MD). A script written in C that performs MD using the Local Anharmonic approximation.
This is a small package, mainly intended for machine-learning researchers who want to take a look at potential-field estimation as is done in Molecular Dynamics (MD) or molecular simulations. The tool only generates a potential fields. None of the realistic geometric problems of molecular symmetry etc. are handled, just a 2D mountain landcape (nega
course project for HPPC
Molecular dynamics system for ultra-largescale simulations on (for now) consumergrade hardware. Completely parallelized.
Molecular dynamics program developed for my undergraduate thesis.