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Author:
Philipp Pracht, Tobias Kaczun
License:
GNU LESSER GENERAL PUBLIC LICENSE Version 3, 29 June 2007 Copyright (C) 2007 Free Software Foundation, Inc. <https://fsf.org/> Everyone is permitted to copy and distribute verbatim copies of this lic...
Summary:
irmsd: A package for the calculation of the permutation-invariant root-mean-square-deviation (RMSD) of atomic positions.
Latest version:
0.1.2
Required dependencies:
numpy
Optional dependencies:
ase
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myst-parser
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pytest
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pytest-cov
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rdkit
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shibuya
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sphinx
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