A high performance toolkit for molecular simulation.
conda install -c conda-forge openmm
conda install -c conda-forge/label/test openmm
conda install -c conda-forge/label/openmm_rc openmm
conda install -c conda-forge/label/testing openmm
conda install -c conda-forge/label/broken openmm
OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes. OpenMM is MIT licensed with some LGPL portions (CUDA and OpenCL platforms).