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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
/
processed
14.8 GB
Ctrl+K
Ctrl+K
1 contributor
History:
1 commit
maltefranke
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
95a876e
verified
3 days ago
test_data.lmdb
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
train_data.lmdb
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
val_data.lmdb
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
atom_tokens.txt
Safe
30 Bytes
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
charge_tokens.txt
Safe
7 Bytes
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
distributions.pt
105 kB
xet
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
edge_tokens.txt
Safe
16 Bytes
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
preprocessing_summary.json
Safe
130 Bytes
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
test_smiles.txt
Safe
9.56 MB
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
train_smiles.txt
76.5 MB
xet
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
val_smiles.txt
Safe
9.56 MB
Add processed QM9, GEOM-Drugs, and ChEMBL3D caches
3 days ago
