OpenFF Toolkit, Evaluator, Interchange, and all the other software we build and maintain.
The Open Force Field Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools.
An automated and scalable framework for curating, manipulating, and computing data sets of physical properties from molecular simulation and simulation data.
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Automated tools for submitting molecules to QCFractal