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
Datasets:
maltefranke
/
morph-data
Like
1
Modalities:
3D
Languages:
English
ArXiv:
arxiv:
2606.07239
Tags:
chemistry
molecular-generation
3d
qm9
geom-drugs
chembl
+ 3
Dataset card
Files
Files and versions
xet
Community
main
morph-data
/
chembl3d_max100
/
processed
14.7 GB
Ctrl+K
Ctrl+K
1 contributor
History:
2 commits
maltefranke
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches (part 2)
2139438
verified
2 days ago
test_data.lmdb
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
2 days ago
train_data.lmdb
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches (part 2)
2 days ago
val_data.lmdb
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches (part 2)
2 days ago
atom_tokens.txt
Safe
30 Bytes
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
2 days ago
charge_tokens.txt
Safe
7 Bytes
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
2 days ago
distributions.pt
105 kB
xet
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
2 days ago
edge_tokens.txt
Safe
16 Bytes
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
2 days ago
preprocessing_summary.json
Safe
9.03 kB
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
2 days ago
test_smiles.txt
Safe
9.48 MB
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
2 days ago
test_source_indices.npy
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
1.47 MB
xet
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
2 days ago
train_smiles.txt
Safe
75.8 MB
xet
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches (part 2)
2 days ago
train_source_indices.npy
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
11.8 MB
xet
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches (part 2)
2 days ago
val_smiles.txt
Safe
9.48 MB
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches (part 2)
2 days ago
val_source_indices.npy
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
1.47 MB
xet
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches (part 2)
2 days ago
