Skip to content
/ QuickFF Public

A Python code to quickly derive ab initio parameterized force fields.

License

Notifications You must be signed in to change notification settings

molmod/QuickFF

Repository files navigation

QuickFF is a pythonic code to easily derive fully flexible force fields from ab
initio training data. The intended audience is very broad, one does not require
much force field experience to generate reliable force fields for molecular
systems.

More information including an installation guide and user manual can be found at
http://molmod.github.io/QuickFF/

QuickFF is distributed as open source software under the conditions of the GPL
license version 3. Read the file COPYING for more details, or visit
http://www.gnu.org/licenses/

About

A Python code to quickly derive ab initio parameterized force fields.

Resources

License

Stars

Watchers

Forks

Packages

No packages published