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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Feb 4, 2025
1 parent feaf75e commit c16d8e1
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Showing 4 changed files with 4 additions and 5 deletions.
3 changes: 1 addition & 2 deletions graphein/ml/conversion.py
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@@ -1,5 +1,4 @@
"""Utilities for converting Graphein Networks to Geometric Deep Learning formats.
"""
"""Utilities for converting Graphein Networks to Geometric Deep Learning formats."""

# %%
# Graphein
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2 changes: 1 addition & 1 deletion graphein/molecule/utils.py
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Expand Up @@ -337,7 +337,7 @@ def get_mol_weight(mol: Union[nx.Graph, Chem.Mol]) -> float:

@requires_python_libs("rdkit")
def get_qed_score(
mol: Union[nx.Graph, rdkit.Chem.rdchem.Mol]
mol: Union[nx.Graph, rdkit.Chem.rdchem.Mol],
) -> Union[float, None]:
"""Computes the Quantitative Estimate of Druglikeness (QED) score for a molecule or molecular graph.
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2 changes: 1 addition & 1 deletion graphein/rna/nussinov.py
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@@ -1,5 +1,5 @@
"""Nussinov algorithm for computing RNA secondary structure adopted from
adopted from https://github.com/cgoliver/Nussinov/blob/master/nussinov.py """
adopted from https://github.com/cgoliver/Nussinov/blob/master/nussinov.py"""

# %%
# Graphein
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2 changes: 1 addition & 1 deletion graphein/utils/utils.py
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Expand Up @@ -358,7 +358,7 @@ def ping(host: str) -> bool:


def parse_aggregation_type(
aggregation_type: Literal["sum", "mean", "max", "min", "median"]
aggregation_type: Literal["sum", "mean", "max", "min", "median"],
) -> Callable:
"""Returns an aggregation function by name
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