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@aditya0by0 aditya0by0 requested a review from sfluegel05 July 30, 2025 22:14
@aditya0by0 aditya0by0 self-assigned this Jul 30, 2025
@aditya0by0 aditya0by0 added enhancement New feature or request priority: medium labels Jul 30, 2025
@aditya0by0 aditya0by0 marked this pull request as ready for review September 13, 2025 11:27
@aditya0by0 aditya0by0 marked this pull request as draft September 16, 2025 12:45
@aditya0by0 aditya0by0 marked this pull request as ready for review September 21, 2025 18:33
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@sfluegel05, Please review and merge the PR.

self._chebi_version_train_obj.setup()

def _load_dict(self, input_file_path: str) -> Generator[Dict[str, Any], None, None]:
def _load_dict(self, input_file_path: str) -> Generator[dict[str, Any], None, None]:
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is there a reason or this change? The only difference I see is that we lose support for python<3.9 with dict

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Since we’ve already set Python 3.10 as the minimum requirement in #105
, there’s no need to import type hints from typing or typing_extensions. Using built-in type hints (e.g., dict[...]) is both explicit and consistent with Python 3.10+ features, which is why this change was made.

@sfluegel05 sfluegel05 merged commit 06a1869 into dev Sep 25, 2025
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@sfluegel05 sfluegel05 deleted the feature/augment_smiles branch September 25, 2025 12:45
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enhancement New feature or request priority: medium

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SMILES augmentation MolToSmiles fails with rootedAtAtom for disconnected molecules (need for smiles augmentation)

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