Amber Python Packages

moltemplate

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

longbow

Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.

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

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

ommprotocol

A command line application to launch molecular dynamics simulations with OpenMM

neoralab-openff-toolkit

OpenFF toolkit distribution maintained by Neoralab