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Author:
Alejandro Martínez León
License:
Apache License 2.0
Summary:
A python package for automation of MD simulations
Latest version:
0.0.0a4
Required dependencies:
kmodes
|
kneed
|
numpy
|
pandas
|
prolif
|
pubchempy
|
rdkit
|
scipy
|
seaborn
|
sklearn
|
tqdm
|
uncertainties
Optional dependencies:
attrs
|
pytest
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