PyPI page
Author:
Tieu Long Phan
Summary:
Utility for reaction modeling using graph grammar
Latest version:
0.0.14
Required dependencies:
networkx
|
pandas
|
rdkit
|
requests
|
scikit-learn
|
seaborn
Optional dependencies:
drfp
|
fgutils
|
rxn-chem-utils
|
rxn-utils
|
rxnmapper
|
xgboost
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