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Quantum mechanical bespoke force field derivation toolkit

Installers

Info: This package contains files in non-standard labels.
  • noarch v2.1.1

conda install

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

Description

QUBEKit is a Python based force field parameter derivation toolkit. Our aims are to allow users to quickly derive molecular mechanics parameters directly from quantum mechanical calculations.


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