• License: CC-BY-4.0
• Home: https://openforcefield.org/
• Development: https://github.com/openforcefield/openff-forcefields
• Documentation: https://github.com/openforcefield/openff-forcefields
• 558314 total downloads
• Last upload: 3 months and 9 days ago

Description

The provided OFFXML (force field) files are successive versions of a general-purpose small molecule force field, written in the SMIRNOFF format; this force field should cover all or almost all of drug-like chemical space, and illustrate some of the major functionality of the SMIRNOFF format as well as how it simplifies the specification of force field parameters in a compact and chemically sensible way.