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VSRAJHAVEL
/
BioGraph-AI-Models
Like
0
PyTorch
esol
bbbp
tox21
English
chemistry
graph-neural-networks
drug-discovery
rdkit
pytorch-geometric
moleculenet
cheminformatics
toxicology
admet
mpnn
gin
gcn
gat
Eval Results (legacy)
License:
mit
Model card
Files
Files and versions
xet
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4282cb1
BioGraph-AI-Models
/
checkpoints
110 MB
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1 contributor
History:
11 commits
VSRAJHAVEL
Upload checkpoints/tox21_baseline_best.pkl with huggingface_hub
4282cb1
verified
5 days ago
bbbp_baseline_best.pkl
pickle
Detected Pickle imports (8)
"sklearn.ensemble._forest.RandomForestClassifier"
,
"src.models.baseline.ClassicalFingerprintBaseline"
,
"sklearn.tree._classes.DecisionTreeClassifier"
,
"numpy.dtype"
,
"numpy._core.multiarray._reconstruct"
,
"sklearn.tree._tree.Tree"
,
"numpy._core.multiarray.scalar"
,
"numpy.ndarray"
How to fix it?
3.76 MB
xet
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5 days ago
bbbp_gat_best.pt
Safe
95.1 kB
xet
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5 days ago
bbbp_gcn_best.pt
Safe
91.7 kB
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5 days ago
bbbp_gin_best.pt
Safe
152 kB
xet
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5 days ago
bbbp_mpnn_best.pt
Safe
1.59 MB
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5 days ago
esol_baseline_best.pkl
pickle
Detected Pickle imports (7)
"src.models.baseline.ClassicalFingerprintBaseline"
,
"numpy.dtype"
,
"sklearn.ensemble._forest.RandomForestRegressor"
,
"numpy._core.multiarray._reconstruct"
,
"sklearn.tree._tree.Tree"
,
"sklearn.tree._classes.DecisionTreeRegressor"
,
"numpy.ndarray"
How to fix it?
7.95 MB
xet
Upload checkpoints/esol_baseline_best.pkl with huggingface_hub
5 days ago
esol_gat_best.pt
95.1 kB
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5 days ago
esol_gcn_best.pt
91.8 kB
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5 days ago
esol_gin_best.pt
152 kB
xet
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5 days ago
esol_mpnn_best.pt
Safe
1.59 MB
xet
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5 days ago
tox21_baseline_best.pkl
pickle
Detected Pickle imports (8)
"sklearn.tree._classes.DecisionTreeClassifier"
,
"numpy.dtype"
,
"src.models.baseline.ClassicalFingerprintBaseline"
,
"numpy._core.multiarray.scalar"
,
"sklearn.ensemble._forest.RandomForestClassifier"
,
"sklearn.tree._tree.Tree"
,
"numpy.ndarray"
,
"numpy._core.multiarray._reconstruct"
How to fix it?
94.9 MB
xet
Upload checkpoints/tox21_baseline_best.pkl with huggingface_hub
5 days ago
