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Author:
Oliver Beckstein
License:
GPLv3
Summary:
A library for computing solvation/water partitioning coefficients using molecular dynamics simulations
Latest version:
0.9.0
Required dependencies:
alchemlyb
|
cairosvg
|
gromacswrapper
|
matplotlib
|
mdanalysis
|
numkit
|
numpy
|
pandas
|
pymbar
|
pypdf
|
pyyaml
|
rdkit
|
scipy
|
seaborn
|
six
|
svgutils
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