Forcefield Python Packages

auto-fox

A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.

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

hrcl-jobs

Use main thread to communicate with SQL database and run passed functions on worker threads.

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

No description available

fretlabel

PyMOL plugin to interactively label nucleic acids with fluorophores in silico

neoralab-openff-toolkit

OpenFF toolkit distribution maintained by Neoralab