openff-toolkit (conda): The Open Force Field Toolkit, built by the Open Force Field Initiative, is a Python toolkit for the development and application of modern molecular mechanics force fields based on direct chemical perception and rigorous statistical parameterization methods.
Keywords: amber|chemical-environment-perception|force-fields|forcefield|forcefield-parameterization|molecular-dynamics|molecular-mechanics|nsf-grant-che-1738979|open-force-field-consortium|openmm|smirnoff-force-field