JOSS Papers: molecular simulation

Published Papers

published Published about 10 hours ago

SpinVibe: Simulating spin-phonon coupling for molecular qubits

Python Jupyter Notebook

@victorchanglee

10.21105/joss.09538

published Published 3 months ago

msibi: Multistate Iterative Boltzmann Inversion

Python

10.21105/joss.09244

published Published 3 months ago

scoup: Simulate Codon Sequences with Darwinian Selection Incorporated as an Ornstein-Uhlenbeck Process

R Visual Basic 6.0

10.21105/joss.09797

published Published 6 months ago

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

Python

10.21105/joss.08962

published Published 6 months ago

YetAnotherSimulationSuite.jl: An Atomic Simulation Suite in Julia

Python Julia

10.21105/joss.09480

published Published 10 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 11 months ago

AniSOAP: Machine Learning Representations for Coarse-grained and Non-spherical Systems

Python Jupyter Notebook Rust

10.21105/joss.07954

published Published 12 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 over 1 year ago

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

Python

10.21105/joss.06970

published Published almost 2 years ago

MDCraft: A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems

Jupyter Notebook C++ C Cuda

10.21105/joss.07013

Displaying papers 1 - 10 of 32 in total

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