Merge pull request #105 from datamol-io/lint

fix lint
datamol-io · Aug 20, 2024 · ff92ee6 · ff92ee6
2 parents 40414ae + d1ecb65
commit ff92ee6
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Showing 4 changed files with 3 additions and 6 deletions.
diff --git a/docs/benchmark.ipynb b/docs/benchmark.ipynb
@@ -127,7 +127,7 @@
     "    mol = dm.to_mol(smi, ordered=True, sanitize=False)    \n",
     "    try: \n",
     "        mol = dm.sanitize_mol(mol)\n",
-    "    except:\n",
+    "    except: # noqa: E722\n",
     "        mol = None\n",
     "            \n",
     "    if mol is None: \n",

diff --git a/docs/tutorials/custom_model_store.ipynb b/docs/tutorials/custom_model_store.ipynb
@@ -772,7 +772,7 @@
     "# we reimport to reload the store information without restarting the kernel\n",
     "import dotenv\n",
     "dotenv.load_dotenv(override=True)\n",
-    "from molfeat.store import ModelStore\n",
+    "from molfeat.store import ModelStore # noqa: E402\n",
     "model = PretrainedDGLTransformer(kind=\"tmp_gin_supervised_infomax\", dtype=float)"
    ]
   },

diff --git a/docs/tutorials/datacache.ipynb b/docs/tutorials/datacache.ipynb
@@ -81,7 +81,7 @@
     "\n",
     "cache = FileCache(\n",
     "    name=\"fcd_cache_test\",\n",
-    "    cache_file=f\"fcd_cache.parquet\",\n",
+    "    cache_file=\"fcd_cache.parquet\",\n",
     "    file_type=\"parquet\",\n",
     "    mol_hasher=\"dm.unique_id\",\n",
     ")\n",

diff --git a/docs/tutorials/transformer_finetuning.ipynb b/docs/tutorials/transformer_finetuning.ipynb
@@ -54,7 +54,6 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from molfeat.utils.converters import SmilesConverter\n",
     "from molfeat.trans.pretrained import PretrainedHFTransformer"
    ]
   },
@@ -222,7 +221,6 @@
    "source": [
     "from torch.utils.data import Dataset\n",
     "from torch.utils.data import DataLoader\n",
-    "from transformers import default_data_collator\n",
     "\n",
     "\n",
     "class DTset(Dataset):\n",
@@ -499,7 +497,6 @@
    ],
    "source": [
     "from sklearn.metrics import accuracy_score, roc_auc_score\n",
-    "from matplotlib import pyplot as plt\n",
     "\n",
     "model.eval()\n",
     "test_y_hat = []\n",