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Molecular Dynamics
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.
- GitHub: https://github.com/topics/molecular-dynamics
- Wikipedia: https://en.wikipedia.org/wiki/Molecular_dynamics
- Related Topics: computational-chemistry, computational-biology, computational-physics,
- Aliases: molecular-dynamics-simulation,
- Last updated: 2025-01-24 00:20:03 UTC
- JSON Representation
https://github.com/jackrekirby/accord2
AcCoRD 2: A redesigned Actor-based Communication via Reaction-Diffusion simulator in C++.
biochemistry cpp matlab modelling molecular-dynamics
Last synced: 15 Dec 2024
https://github.com/aglowraph/gromacs-xvg-plot-script
A Python script for automating the plotting of .xvg files from GROMACS simulations, with dynamic labeling, time unit detection, and colorful visualization. This script reads, plots, and saves each .xvg file in the same directory, making data analysis more efficient.
automation computational-chemistry data-visualization gromacs matplotlib molecular-dynamics numpy python scientific-computing xvg-plotting
Last synced: 28 Nov 2024
https://github.com/simongravelle/lammpstutorials-old-solutions
Previous solution to the LAMMPS tutorials exercises
atomic lammps molecular-dynamics simulation
Last synced: 08 Nov 2024
https://github.com/joaomcteixeira/dropped_taurenmd
An interface to streamline analisis routines for Molecular Dynamics.
molecular-dynamics molecular-dynamics-simulation python structural-biology
Last synced: 15 Dec 2024
https://github.com/toruniina/rustymill
MD toolbox written in rust
molecular-dynamics pdb rust science
Last synced: 08 Dec 2024
https://github.com/matsunagalab/paper_mbar
Input files used in the paper on MBAR by Matsunaga et al.
molecular-dynamics multistate-bennett-acceptance-ratio
Last synced: 19 Jan 2025
