Search Packages

cvpack

Useful Collective Variables for OpenMM

pytim

a python package for the interfacial analysis of molecular simulations

openff-toolkit

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

miniomm

A simple OpenMM wrapper for common-case MD runs

mdscribe

A Toolset For Molecular Dynamics

acellera-openff-toolkit

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

open3spn2

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

mdhelper

A batteries-included toolkit of analysis modules and helper functions

ommprotocol

Easy to deploy MD protocols for OpenMM

neoralab-openff-toolkit

OpenFF toolkit distribution maintained by Neoralab

openmm-transformer

Cleaner way to manage custom forces in openmm

cg-openmm

Tools to build coarse grained models and perform simulations with OpenMM