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quickff

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

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::quickff

Usage Tracking

2.2.4
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Downloads (Last 6 months): 0

Description

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.

About

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

noarch