OFFICIAL: AnteChamber PYthon Parser interfacE
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
Interface for AutoDock, molecule parameterization
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
OpenFF NAGL
Parameter/topology editor and molecular simulator
An automated framework for generating optimized partial charges for molecules
Add a description, image, and links to the task-parameterization topic page so that developers can more easily learn about it.
To associate your repository with the task-parameterization topic, visit your repo's landing page and select "manage topics."