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apmesq / packages / gmx_isa 0.5.0

0

GROMACS Interaction Stability & Analysis with QM/MM workflows

License: MIT
Home: https://github.com/apmesq/gmx_ISA
7 total downloads
Last upload: 3 months and 17 days ago

Installers

linux-64 v0.5.0

conda install

To install this package run one of the following:
conda install apmesq::gmx_isa

Description

Automated tool for GROMACS trajectory analysis, including statistics, plotting, and QM/MM integration via xTB.

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