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Author:
Colton Hicks
Summary:
Cheminformatics algorithms and structure utilities using standardized qcdata data structures.
Latest version:
0.4.2
Required dependencies:
numpy
|
pydantic
|
pynauty
|
qcdata
|
qcref
|
rustworkx
|
sympy
|
typing-extensions
Optional dependencies:
numba
|
openbabel-wheel
|
rdkit
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