JOSS Papers: molecular dynamics

Published Papers

published Published 10 days ago

RustSASA: A Rust Crate for Accelerated Solvent Accessible Surface Area Calculations

Rust Python C++

10.21105/joss.09537

published Published about 1 month ago

lammpsio: Transparent and reproducible handling of LAMMPS particle data in Python

Python

10.21105/joss.08962

published Published about 1 month ago

YetAnotherSimulationSuite.jl: An Atomic Simulation Suite in Julia

Python Julia

10.21105/joss.09480

published Published 5 months ago

asyncmd: A python library to orchestrate complex molecular dynamics simulation campaigns on high performance computing systems

Python

10.21105/joss.08321

published Published 7 months ago

fastatomstruct: A High-Performance Library for Structural and Dynamical Analysis of Atomic Systems

Rust Jupyter Notebook Python

10.21105/joss.08106

published Published 7 months ago

SwiftPol: A Python package for building and parameterizing in silico polymer systems

Jupyter Notebook Python

10.21105/joss.08053

published Published 7 months ago

NanoVer Server: A Python Package for Serving Real-Time Multi-User Interactive Molecular Dynamics in Virtual Reality

C# Python Jupyter Notebook

10.21105/joss.08118

published Published about 1 year ago

MoSDeF-dihedral-fit: A lightweight software for fitting dihedrals within MoSDeF

Python

10.21105/joss.06970

published Published about 1 year ago

OpenMD: A parallel molecular dynamics engine for complex systems and interfaces

Python C++ C

10.21105/joss.07004

published Published over 1 year ago

alchemlyb: the simple alchemistry library

Python

10.21105/joss.06934

Displaying papers 1 - 10 of 47 in total

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