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Author:
None
License:
MIT License
Copyright (c) [2025] [YvesGrandjean]
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated ...
Summary:
Evaluate atom-mapping equivalence of chemical reactions using graph isomorphism.
Latest version:
1.4.2
Required dependencies:
networkx
|
pandas
|
rdkit
|
rxn-chem-utils
|
rxn-utils
|
wrapt_timeout_decorator
Optional dependencies:
black
|
pytest
|
pytest-cov
|
ruff
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