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VIDraft
/
tox21-v4-models
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VIDraft
248
Tabular Classification
scikit-learn
toxicology
tox21
admet
drug-discovery
cheminformatics
License:
apache-2.0
Model card
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tox21-v4-models
1.23 GB
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History:
6 commits
openfree
README: 4-model val-weighted cross-family ensemble = 0.805 scaffold-test (honest, +GIN graph net)
4e79c5d
verified
25 days ago
.gitattributes
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1.52 kB
initial commit
25 days ago
NR-AR-LBD.pkl
Unsafe
pickle
Detected Pickle imports (13)
"xgboost.sklearn.XGBClassifier"
,
"lightgbm.sklearn.LGBMClassifier"
,
"lightgbm.basic.Booster"
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"collections.defaultdict"
,
"xgboost.core.Booster"
,
"builtins.bytearray"
,
"sklearn.preprocessing._label.LabelEncoder"
,
"numpy.core.multiarray._reconstruct"
,
"numpy.core.multiarray.scalar"
,
"__main__.EnsembleModel"
,
"numpy.ndarray"
,
"numpy.dtype"
,
"collections.OrderedDict"
How to fix it?
50.1 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
NR-AR.pkl
Unsafe
pickle
Detected Pickle imports (13)
"collections.defaultdict"
,
"lightgbm.sklearn.LGBMClassifier"
,
"numpy.dtype"
,
"sklearn.preprocessing._label.LabelEncoder"
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"numpy.ndarray"
,
"__main__.EnsembleModel"
,
"builtins.bytearray"
,
"numpy.core.multiarray.scalar"
,
"numpy.core.multiarray._reconstruct"
,
"lightgbm.basic.Booster"
,
"xgboost.sklearn.XGBClassifier"
,
"collections.OrderedDict"
,
"xgboost.core.Booster"
How to fix it?
16.8 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
NR-AhR.pkl
Unsafe
pickle
Detected Pickle imports (13)
"xgboost.sklearn.XGBClassifier"
,
"lightgbm.sklearn.LGBMClassifier"
,
"lightgbm.basic.Booster"
,
"collections.defaultdict"
,
"xgboost.core.Booster"
,
"builtins.bytearray"
,
"sklearn.preprocessing._label.LabelEncoder"
,
"numpy.core.multiarray._reconstruct"
,
"numpy.core.multiarray.scalar"
,
"__main__.EnsembleModel"
,
"numpy.ndarray"
,
"numpy.dtype"
,
"collections.OrderedDict"
How to fix it?
131 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
NR-Aromatase.pkl
Unsafe
pickle
Detected Pickle imports (13)
"numpy.dtype"
,
"xgboost.core.Booster"
,
"collections.defaultdict"
,
"sklearn.preprocessing._label.LabelEncoder"
,
"lightgbm.basic.Booster"
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"lightgbm.sklearn.LGBMClassifier"
,
"builtins.bytearray"
,
"collections.OrderedDict"
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"numpy.ndarray"
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"xgboost.sklearn.XGBClassifier"
,
"numpy.core.multiarray.scalar"
,
"__main__.EnsembleModel"
,
"numpy.core.multiarray._reconstruct"
How to fix it?
138 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
NR-ER-LBD.pkl
Unsafe
pickle
Detected Pickle imports (13)
"numpy.core.multiarray._reconstruct"
,
"xgboost.sklearn.XGBClassifier"
,
"xgboost.core.Booster"
,
"sklearn.preprocessing._label.LabelEncoder"
,
"__main__.EnsembleModel"
,
"collections.OrderedDict"
,
"numpy.core.multiarray.scalar"
,
"collections.defaultdict"
,
"lightgbm.basic.Booster"
,
"builtins.bytearray"
,
"lightgbm.sklearn.LGBMClassifier"
,
"numpy.ndarray"
,
"numpy.dtype"
How to fix it?
63.6 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
NR-ER.pkl
Unsafe
pickle
Detected Pickle imports (13)
"builtins.bytearray"
,
"lightgbm.basic.Booster"
,
"xgboost.sklearn.XGBClassifier"
,
"collections.defaultdict"
,
"sklearn.preprocessing._label.LabelEncoder"
,
"numpy.core.multiarray.scalar"
,
"lightgbm.sklearn.LGBMClassifier"
,
"numpy.core.multiarray._reconstruct"
,
"numpy.ndarray"
,
"xgboost.core.Booster"
,
"collections.OrderedDict"
,
"__main__.EnsembleModel"
,
"numpy.dtype"
How to fix it?
39.8 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
NR-PPAR-gamma.pkl
Unsafe
pickle
Detected Pickle imports (13)
"lightgbm.basic.Booster"
,
"collections.OrderedDict"
,
"xgboost.core.Booster"
,
"lightgbm.sklearn.LGBMClassifier"
,
"xgboost.sklearn.XGBClassifier"
,
"numpy.core.multiarray._reconstruct"
,
"__main__.EnsembleModel"
,
"collections.defaultdict"
,
"builtins.bytearray"
,
"numpy.dtype"
,
"sklearn.preprocessing._label.LabelEncoder"
,
"numpy.ndarray"
,
"numpy.core.multiarray.scalar"
How to fix it?
41.5 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
README.md
5.11 kB
README: 4-model val-weighted cross-family ensemble = 0.805 scaffold-test (honest, +GIN graph net)
25 days ago
SR-ARE.pkl
Unsafe
pickle
Detected Pickle imports (13)
"collections.OrderedDict"
,
"numpy.dtype"
,
"builtins.bytearray"
,
"__main__.EnsembleModel"
,
"collections.defaultdict"
,
"lightgbm.sklearn.LGBMClassifier"
,
"numpy.core.multiarray.scalar"
,
"numpy.ndarray"
,
"lightgbm.basic.Booster"
,
"sklearn.preprocessing._label.LabelEncoder"
,
"xgboost.sklearn.XGBClassifier"
,
"xgboost.core.Booster"
,
"numpy.core.multiarray._reconstruct"
How to fix it?
111 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
SR-ATAD5.pkl
Unsafe
pickle
Detected Pickle imports (13)
"numpy.core.multiarray._reconstruct"
,
"xgboost.core.Booster"
,
"collections.defaultdict"
,
"lightgbm.sklearn.LGBMClassifier"
,
"numpy.ndarray"
,
"sklearn.preprocessing._label.LabelEncoder"
,
"numpy.core.multiarray.scalar"
,
"collections.OrderedDict"
,
"builtins.bytearray"
,
"xgboost.sklearn.XGBClassifier"
,
"lightgbm.basic.Booster"
,
"__main__.EnsembleModel"
,
"numpy.dtype"
How to fix it?
85.6 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
SR-HSE.pkl
Unsafe
pickle
Detected Pickle imports (13)
"collections.defaultdict"
,
"lightgbm.sklearn.LGBMClassifier"
,
"numpy.dtype"
,
"sklearn.preprocessing._label.LabelEncoder"
,
"numpy.ndarray"
,
"__main__.EnsembleModel"
,
"builtins.bytearray"
,
"numpy.core.multiarray.scalar"
,
"numpy.core.multiarray._reconstruct"
,
"lightgbm.basic.Booster"
,
"xgboost.sklearn.XGBClassifier"
,
"collections.OrderedDict"
,
"xgboost.core.Booster"
How to fix it?
128 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
SR-MMP.pkl
Unsafe
pickle
Detected Pickle imports (13)
"sklearn.preprocessing._label.LabelEncoder"
,
"numpy.core.multiarray._reconstruct"
,
"collections.defaultdict"
,
"__main__.EnsembleModel"
,
"numpy.core.multiarray.scalar"
,
"lightgbm.sklearn.LGBMClassifier"
,
"xgboost.sklearn.XGBClassifier"
,
"builtins.bytearray"
,
"lightgbm.basic.Booster"
,
"numpy.ndarray"
,
"xgboost.core.Booster"
,
"collections.OrderedDict"
,
"numpy.dtype"
How to fix it?
136 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
SR-p53.pkl
Unsafe
pickle
Detected Pickle imports (13)
"lightgbm.basic.Booster"
,
"collections.OrderedDict"
,
"xgboost.core.Booster"
,
"lightgbm.sklearn.LGBMClassifier"
,
"xgboost.sklearn.XGBClassifier"
,
"numpy.core.multiarray._reconstruct"
,
"__main__.EnsembleModel"
,
"collections.defaultdict"
,
"builtins.bytearray"
,
"numpy.dtype"
,
"sklearn.preprocessing._label.LabelEncoder"
,
"numpy.ndarray"
,
"numpy.core.multiarray.scalar"
How to fix it?
94.3 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
dnn_best.pt
pickle
Detected Pickle imports (4)
"collections.OrderedDict"
,
"torch.FloatStorage"
,
"torch.LongStorage"
,
"torch._utils._rebuild_tensor_v2"
What is a pickle import?
97.9 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
dnn_final.pt
pickle
Detected Pickle imports (4)
"collections.OrderedDict"
,
"torch.FloatStorage"
,
"torch._utils._rebuild_tensor_v2"
,
"torch.LongStorage"
What is a pickle import?
97.9 MB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
mordred_imputer.pkl
pickle
Detected Pickle imports (4)
"numpy.dtype"
,
"numpy.ndarray"
,
"sklearn.impute._base.SimpleImputer"
,
"numpy.core.multiarray._reconstruct"
How to fix it?
6.85 kB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
scaler.pkl
pickle
Detected Pickle imports (5)
"numpy.dtype"
,
"numpy.ndarray"
,
"numpy.core.multiarray._reconstruct"
,
"sklearn.preprocessing._data.StandardScaler"
,
"numpy.core.multiarray.scalar"
How to fix it?
252 kB
xet
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
v4_info.json
Safe
6.76 kB
Tox21-v4: XGB+LGB+DNN, 10469-dim (FP+Mordred+UniMol)
25 days ago
