Hugging Face
Models
Datasets
Spaces
Posts
Docs
Enterprise
Pricing
Log In
Sign Up
Edit Datasets filters
Main
Tasks
Libraries
Languages
Licenses
Other
1
Reset Other
cheminformatics
chemistry
Other with no match
art
Synthetic
Trained with AutoTrain
code
medical
biology
legal
finance
music
climate
Apply filters
Datasets
10
Full-text search
Edit filters
Sort: Trending
Active filters:
cheminformatics
Clear all
maomlab/AqSolDB
Viewer
•
Updated
Jan 30
•
9.98k
•
272
maomlab/MutagenLou2023
Viewer
•
Updated
Jan 30
•
10k
•
706
molssiai-hub/pubchem-07-23-2024
Updated
Aug 30, 2024
•
547
•
1
molssiai-hub/pubchem-10-15-2024
Updated
Oct 16, 2024
•
143
molssiai-hub/pubchem-10-15-2024-selfies
Updated
Oct 18, 2024
•
75
Derify/augmented_canonical_pubchem_13m
Viewer
•
Updated
20 days ago
•
13.3M
•
103
molssiai-hub/pubchem-02-21-2025
Updated
21 days ago
•
9
Derify/augmented_canonical_druglike_QED_43M
Viewer
•
Updated
20 days ago
•
42.8M
•
64
Derify/safe_druglike_QED_33M
Viewer
•
Updated
18 days ago
•
33.6M
•
66
Derify/safe_pubchem_10m
Viewer
•
Updated
18 days ago
•
10.2M
•
86