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conda-forge / packages / qubekit 2.1.1

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Quantum mechanical bespoke force field derivation toolkit

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License: MIT
Home: https://github.com/qubekit/QUBEKit
Development: https://github.com/qubekit/QUBEKit
Documentation: https://github.com/qubekit/QUBEKit
7516 total downloads
Last upload: 2 years and 9 months ago

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.

conda-forge / packages / qubekit 2.1.1 1

Installers

conda install

Description

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conda-forge / packages / qubekit 2.1.1

1