diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 6855c3159..29ccabc36 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -9,7 +9,7 @@ repos: - id: check-yaml - id: check-added-large-files - repo: https://github.com/psf/black - rev: 24.10.0 + rev: 25.1.0 hooks: - id: black - repo: https://github.com/pre-commit/pre-commit-hooks @@ -17,6 +17,6 @@ repos: hooks: - id: flake8 - repo: https://github.com/pycqa/isort - rev: 5.13.2 + rev: 6.0.0 hooks: - id: isort diff --git a/graphein/ml/conversion.py b/graphein/ml/conversion.py index 2cb013d04..993c96266 100644 --- a/graphein/ml/conversion.py +++ b/graphein/ml/conversion.py @@ -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 diff --git a/graphein/molecule/utils.py b/graphein/molecule/utils.py index 4be3ed9e0..193a542fa 100644 --- a/graphein/molecule/utils.py +++ b/graphein/molecule/utils.py @@ -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. diff --git a/graphein/rna/nussinov.py b/graphein/rna/nussinov.py index 5c5a8d00b..7db836b05 100644 --- a/graphein/rna/nussinov.py +++ b/graphein/rna/nussinov.py @@ -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 diff --git a/graphein/utils/utils.py b/graphein/utils/utils.py index 700eda56f..8f2500a87 100644 --- a/graphein/utils/utils.py +++ b/graphein/utils/utils.py @@ -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