Universal modeling and simulation of fluid mechanics upon ML
Molecular simulation in Julia
Software for molecular simulations and trajectory analysis
Analysis, visualization, edition of 3D atomistic models
Approximate solvation free energy calculator
Dynamics of quantum systems, controlled by external fields
A code primarily aimed at DNA and RNA coarse-grained simulations
console to calculate airflow around an airfoil based on RANS approach
Standalone application for parsing MD simulation Log files
Time-dependent simulation of open and closed quantum systems
Large-scale Atomic/Molecular Massively Parallel Simulator
Molecular Dynamics Cell Construction
Real Space Multigrid based electronic structure code.
Biomolecular electrostatics software
Software for simulation of slow motional EPR spectra in aligned media
TrajLab subproject: Molecular dynamics simulations in MATLAB
MEMBPLUGIN: studying membrane complexity in VMD
Command-line tools for analyzing Amber Molecular Dynamics simulations.