Skip to content

The toxicity module of DeepBlock cannot be executed #1

Description

@AtlasWuqi

(deepblock_env) drug@airs:~/DeepBlock$ python scripts/regress_tox/chem_test.py --base-train-id 20230402_135859_c91a /Data/drug/.conda/envs/deepblock_env/lib/python3.10/site-packages/stopit/init.py:10: UserWarning: pkg_resources is deprecated as an API. See https://setuptools.pypa.io/en/latest/pkg_resources.html. The pkg_resources package is slated for removal as early as 2025-11-30. Refrain from using this package or pin to Setuptools<81. import pkg_resources 2026-07-28 16:21:34,619 [INFO] | opt: {'random_seed': 20230402, 'split_pro': {train': 0.75, 'test': 0.25}, 'base_train_id': '20230402_135859_c91a', 'toxric_cached_dn': 'saved/preprocess/toxric', 'check_fingerprint': False, 'suffix': None, 'dev': False, 'no_wandb': False, 'config': [], 'train_id': '20230402_135859_c91a'} ⠙ Initialize APIRegressTox from 20230402_135859_c91a -> fitted_pipeline: saved/regress_tox/20230402_135859_c91a/fitted_pipelin (...)Traceback (most recent call last): File "/Data/drug/DeepBlock/scripts/regress_tox/chem_test.py", line 54, in api = APIRegressTox(saved_dn) File "/Data/drug/DeepBlock/deepblock/api/api_regress_tox.py", line 32, in init self.init_inference_from_saved_dn(saved_dn) File "/Data/drug/DeepBlock/deepblock/api/api_regress_tox.py", line 135, in init_inference_from_saved_dn self.fitted_pipeline: Pipeline = joblib.load(self.fn_dic["fitted_pipeline"], mmap_mode=None) File "/Data/drug/.conda/envs/deepblock_env/lib/python3.10/site-packages/joblib/numpy_pickle.py", line 658, in load obj = _unpickle(fobj, filename, mmap_mode) File "/Data/drug/.conda/envs/deepblock_env/lib/python3.10/site-packages/joblib/numpy_pickle.py", line 577, in _unpickle obj = unpickler.load() File "/Data/drug/.conda/envs/deepblock_env/lib/python3.10/pickle.py", line 1213, in load dispatchkey[0] KeyError: 118

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions