published Published 16 days ago
ESPResSo++: A Fast and Extensible Molecular Simulation Package for Coarse-Grained Models
Tcl Python C++
@junghans
@chrisjonesBSU
published Published 10 months ago
lammpsio: Transparent and reproducible handling of LAMMPS particle data in Python
Python
@clpetix
published Published 10 months ago
YetAnotherSimulationSuite.jl: An Atomic Simulation Suite in Julia
Python Julia
@Cavenfish
published Published about 1 year ago
asyncmd: A python library to orchestrate complex molecular dynamics simulation campaigns on high performance computing systems
Python
@hejung
published Published over 1 year ago
fastatomstruct: A High-Performance Library for Structural and Dynamical Analysis of Atomic Systems
Rust Jupyter Notebook Python
@nilsholle
published Published almost 2 years ago
MoSDeF-dihedral-fit: A lightweight software for fitting dihedrals within MoSDeF
Python
@jpotoff
published Published about 2 years ago
MDCraft: A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems
Jupyter Notebook C++ C Cuda
@pw0908
published Published about 2 years ago
IonDiff: command-line tool to identify ionic diffusion events and hopping correlations in molecular dynamics simulations
Python
@IonRepo
published Published over 2 years ago
@sntioudis
