quickff
A Python code to quickly derive ab initio parameterized force fields.
A Python code to quickly derive ab initio parameterized force fields.
To install this package, run one of the following:
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.
Summary
A Python code to quickly derive ab initio parameterized force fields.
Last Updated
Mar 11, 2020 at 09:42
License
GPL-3.0
Total Downloads
42.6K
Supported Platforms
GitHub Repository
https://github.com/molmod/QuickFFDocumentation
http://molmod.github.io/QuickFF/