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Author:
The XpongeCPP contributors
License:
Apache License 2.0
Summary:
C++ core rewrite of Xponge workflows, compatible with Xponge-origin 1.7.3
Latest version:
0.2.12
Required dependencies:
geometric
|
h5py
|
matplotlib
|
mdanalysis
|
mokda-xpongelib
|
numpy
|
pubchempy
|
pyscf
|
rdkit
Optional dependencies:
build
|
pytest
|
twine
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