The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

Experiments with expanded ensembles to explore chemical space

An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

a python package for the interfacial analysis of molecular simulations

Python Suite for Advanced General Ensemble Simulations

A project (and object) for storing, manipulating, and converting molecular mechanics data.

A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

A physical property evaluation toolkit from the Open Forcefield Consortium.

A command line application to launch molecular dynamics simulations with OpenMM

Unified Free Energy Dynamics (UFED) simulations with OpenMM

Simulation-Enabled Estimation of Kinetic Rates - Version 2

Absolute solvation free energy calculations with OpenFF and OpenMM

Tools to build coarse grained models and perform simulations with OpenMM

Set up relative free energy calculations using a common scaffold

OpenMM testbed for constant-pH methodologies.

An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM

Collection of Python scripts to setup and run simulations with OpenMM

Useful Collective Variables for OpenMM

Tool collection to integrate and mix OpenEye and OpenMM