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openff-forcefields

Community

Force fields released by the Open Force Field Initiative.

Installation

To install this package, run one of the following:

Conda
$conda install omnia::openff-forcefields

Usage Tracking

2.0.0rc.1
1 / 8 versions selected
Downloads (Last 6 months): 0

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.

About

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