-
Notifications
You must be signed in to change notification settings - Fork 15
A Python code to quickly derive ab initio parameterized force fields.
License
molmod/QuickFF
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
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 0
No packages published