JOSS Papers: Molecular Systems

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3949
 Published Papers
3410
 Active Papers
539
published Published 6 months ago

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

Python
@hejung
10.21105/joss.08321
published Published over 1 year ago

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

Python C++ C
@gezelter
10.21105/joss.07004
published Published over 1 year ago

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

Jupyter Notebook C++ C Cuda
@pw0908
10.21105/joss.07013
published Published about 2 years ago

QMCTorch: a PyTorch Implementation of Real-Space Quantum Monte Carlo Simulations of Molecular Systems

Python
@NicoRenaud
10.21105/joss.05472
published Published almost 3 years ago

MolPainter: A Tool for Painting and Solvating Layered Molecular Systems

Python
@gpantel
10.21105/joss.05128
published Published over 5 years ago

MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems

Python
@salanne
10.21105/joss.02373
Displaying 6 papers

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ISSN 2475-9066