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Author:
The XpongeCPP contributors
License:
Apache License 2.0
Summary:
C++ core rewrite of common Xponge workflows with a Python compatibility layer
Latest version:
0.1.3
Required dependencies:
mdanalysis
|
numpy
|
pubchempy
|
pyscf
|
rdkit
|
xpongelib
Optional dependencies:
build
|
pytest
|
twine
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