hoomd (conda): HOOMD-blue is a general-purpose particle simulation toolkit, implementing molecular dynamics and hard particle Monte Carlo optimized for fast execution on both GPUs and CPUs. As a Python package, HOOMD-blue gives you the flexibility to create custom initialization routines, control simulation parameters, perform in situ analysis, use interactive notebooks, and more.
Keywords: conda-forge|cuda|docker|gpu|hard-particle|hoomd-blue|molecular-dynamics|monte-carlo-simulation|particle-system|python|simulation|singularity