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

Installers

Info: This package contains files in non-standard labels.
  • noarch v2.2.4

conda install

To install this package run one of the following:
conda install conda-forge::quickff
conda install conda-forge/label/cf202003::quickff

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.


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