Notebooks and various fixes for masked model training #19
Annotations
10 errors
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Run Ruff:
molexpress/datasets/encoders.py#L36
molexpress/datasets/encoders.py:36:33: F841 Local variable `e` is assigned to but never used
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Run Ruff:
molexpress/pretraining/canonicalise_smiles.py#L4
molexpress/pretraining/canonicalise_smiles.py:4:8: F401 `os` imported but unused
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Run Ruff:
molexpress/pretraining/canonicalise_smiles.py#L29
molexpress/pretraining/canonicalise_smiles.py:29:5: F841 Local variable `total_lines` is assigned to but never used
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Run Ruff:
molexpress/pretraining/debug_data.ipynb#L105
molexpress/pretraining/debug_data.ipynb:1:1: SyntaxError: Expected an indented block after `for` statement
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Run Ruff:
molexpress/pretraining/encode_amino_acids-model-2.ipynb#L37
molexpress/pretraining/encode_amino_acids-model-2.ipynb:1:1: F401 `molexpress.ops.chem_ops.get_molecule` imported but unused
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Run Ruff:
molexpress/pretraining/encode_amino_acids-model-2.ipynb#L41
molexpress/pretraining/encode_amino_acids-model-2.ipynb:1:1: F401 `wandb` imported but unused
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Run Ruff:
molexpress/pretraining/encode_amino_acids-model-2.ipynb#L42
molexpress/pretraining/encode_amino_acids-model-2.ipynb:1:1: F401 `torch.utils.data.random_split` imported but unused
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Run Ruff:
molexpress/pretraining/encode_amino_acids-model-2.ipynb#L43
molexpress/pretraining/encode_amino_acids-model-2.ipynb:1:1: F811 Redefinition of unused `partial` from cell 6, line 4
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Run Ruff:
molexpress/pretraining/encode_amino_acids-model-2.ipynb#L44
molexpress/pretraining/encode_amino_acids-model-2.ipynb:1:1: F401 `tqdm.tqdm` imported but unused
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Run Ruff:
molexpress/pretraining/encode_amino_acids-model-2.ipynb#L192
molexpress/pretraining/encode_amino_acids-model-2.ipynb:1:1: F541 f-string without any placeholders
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