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Author:
Wei-Tse Hsu
License:
MIT
Summary:
A package for setting up, performing, and analyzing molecular dynamics ensembles using GROMACS
Latest version:
1.0.0
Required dependencies:
alchemlyb
|
argparse
|
matplotlib
|
mpi4py
|
natsort
|
numpy
|
pyemma
|
pymbar
|
pyyaml
|
ruptures
|
seaborn
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