Autosolvate | Anaconda.org

LiuGroupEmory / packages / autosolvate 0.1.4

0

Automated workflow for explicit solvent quantum chemistry calculation

License: BSD-3-Clause
Home: https://github.com/Liu-group/AutoSolvate
Development: https://github.com/Liu-group/AutoSolvate
Documentation: https://autosolvate.readthedocs.io/en/latest/
122 total downloads
Last upload: 1 year and 16 days ago

Installers

osx-64 v0.1.4
linux-64 v0.1.4
win-64 v0.1.4

conda install

To install this package run one of the following:
conda install liugroupemory::autosolvate

Description

Automatically generate microsolvated molecule configurations ready for quantum chemistry calculation

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