Hugging Face
Models
Datasets
Spaces
Buckets
new
Docs
Enterprise
Pricing
Website
Tasks
HuggingChat
Collections
Languages
Organizations
Community
Blog
Posts
Daily Papers
Hardware
Learn
Discord
Forum
GitHub
Solutions
Team & Enterprise
Hugging Face PRO
Enterprise Support
Inference Providers
Inference Endpoints
Storage Buckets
Log In
Sign Up
mseok
/
DeepBioisostere
like
0
deepbioisostere
chemistry
drug-discovery
molecular-optimization
bioisostere
graph-neural-network
License:
mit
Model card
Files
Files and versions
xet
Community
Copy to bucket
new
main
DeepBioisostere
935 MB
Ctrl+K
Ctrl+K
1 contributor
History:
16 commits
mseok
Replace frag_features.pkl with the paper's freq_1 version (140096 keys)
42e5e8d
verified
6 days ago
.gitattributes
Safe
1.58 kB
Add fragment_library.csv
6 days ago
DeepBioisostere_logp.pt
pickle
Detected Pickle imports (3)
"collections.OrderedDict"
,
"torch.FloatStorage"
,
"torch._utils._rebuild_tensor_v2"
What is a pickle import?
20.9 MB
xet
Add DeepBioisostere_logp.pt
6 days ago
DeepBioisostere_logp_mw.pt
pickle
Detected Pickle imports (3)
"torch._utils._rebuild_tensor_v2"
,
"torch.FloatStorage"
,
"collections.OrderedDict"
What is a pickle import?
20.9 MB
xet
Add DeepBioisostere_logp_mw.pt
6 days ago
DeepBioisostere_logp_mw_ablation.pt
pickle
Detected Pickle imports (3)
"torch._utils._rebuild_tensor_v2"
,
"torch.FloatStorage"
,
"collections.OrderedDict"
What is a pickle import?
21.3 MB
xet
Add DeepBioisostere_logp_mw_ablation.pt
6 days ago
DeepBioisostere_mw.pt
pickle
Detected Pickle imports (3)
"torch._utils._rebuild_tensor_v2"
,
"torch.FloatStorage"
,
"collections.OrderedDict"
What is a pickle import?
20.9 MB
xet
Add DeepBioisostere_mw.pt
6 days ago
DeepBioisostere_mw_qed.pt
pickle
Detected Pickle imports (3)
"torch._utils._rebuild_tensor_v2"
,
"torch.FloatStorage"
,
"collections.OrderedDict"
What is a pickle import?
20.9 MB
xet
Add DeepBioisostere_mw_qed.pt
6 days ago
DeepBioisostere_mw_qed_ablation.pt
pickle
Detected Pickle imports (3)
"torch._utils._rebuild_tensor_v2"
,
"torch.FloatStorage"
,
"collections.OrderedDict"
What is a pickle import?
21.3 MB
xet
Add DeepBioisostere_mw_qed_ablation.pt
6 days ago
DeepBioisostere_qed.pt
pickle
Detected Pickle imports (3)
"torch._utils._rebuild_tensor_v2"
,
"torch.FloatStorage"
,
"collections.OrderedDict"
What is a pickle import?
20.9 MB
xet
Add DeepBioisostere_qed.pt
6 days ago
DeepBioisostere_qed_sa.pt
pickle
Detected Pickle imports (3)
"torch._utils._rebuild_tensor_v2"
,
"torch.FloatStorage"
,
"collections.OrderedDict"
What is a pickle import?
20.9 MB
xet
Add DeepBioisostere_qed_sa.pt
6 days ago
DeepBioisostere_qed_sa_ablation.pt
pickle
Detected Pickle imports (3)
"torch._utils._rebuild_tensor_v2"
,
"torch.FloatStorage"
,
"collections.OrderedDict"
What is a pickle import?
21.3 MB
xet
Add DeepBioisostere_qed_sa_ablation.pt
6 days ago
DeepBioisostere_sa.pt
pickle
Detected Pickle imports (3)
"collections.OrderedDict"
,
"torch.FloatStorage"
,
"torch._utils._rebuild_tensor_v2"
What is a pickle import?
20.9 MB
xet
Add DeepBioisostere_sa.pt
6 days ago
README.md
Safe
3.69 kB
Add model card
6 days ago
frag_features.pkl
pickle
Detected Pickle imports (7)
"data.PairData"
,
"torch_geometric.data.storage.GlobalStorage"
,
"torch.storage._load_from_bytes"
,
"torch_geometric.data.data.DataTensorAttr"
,
"collections.OrderedDict"
,
"torch._utils._rebuild_tensor_v2"
,
"torch_geometric.data.data.DataEdgeAttr"
How to fix it?
713 MB
xet
Replace frag_features.pkl with the paper's freq_1 version (140096 keys)
6 days ago
fragment_library.csv
12.4 MB
xet
Replace fragment_library.csv with the paper's freq_1 version (140096 fragments)
6 days ago
