JOSS Papers: edited by @richardjgowers

All Papers
4091
 Published Papers
3711
 Active Papers
380
published Published over 5 years ago

kallisto: A command-line interface to simplify computational modelling and the generation of atomic features

Python
@f3rmion
10.21105/joss.03050
published Published over 5 years ago

polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories

Python
@symmy596
10.21105/joss.02824
published Published almost 6 years ago

ELECTRIC: Electric fields Leveraged from multipole Expansion Calculations in Tinker Rapid Interface Code

Python C Fortran
@valeriewelborn
10.21105/joss.02576
published Published almost 6 years ago

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

Python
@salanne
10.21105/joss.02373
published Published about 6 years ago

HOOMD-TF: GPU-Accelerated, Online Machine Learning in the HOOMD-blue Molecular Dynamics Engine

C++ Cuda Python
@RainierBarrett
10.21105/joss.02367
published Published over 6 years ago

taurenmd: A command-line interface for analysis of Molecular Dynamics simulations.

Python
@joaomcteixeira
10.21105/joss.02175
published Published over 6 years ago

pygen-structures: A Python package to generate 3D molecular structures for simulations using the CHARMM forcefield

Python
@thesketh
10.21105/joss.02157
Displaying papers 11 - 17 of 17 in total

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ISSN 2475-9066