openff-forcefields
Force fields released by the Open Force Field Initiative.
Force fields released by the Open Force Field Initiative.
To install this package, run one of the following:
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.
Summary
Force fields released by the Open Force Field Initiative.
Last Updated
Jul 9, 2021 at 02:46
License
CC-BY-4.0
Total Downloads
0
GitHub Repository
https://github.com/openforcefield/openff-forcefieldsDocumentation
https://github.com/openforcefield/openff-forcefields