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
Edit Datasets filters
Main
Tasks
Libraries
Languages
Licenses
Other
1
Reset Other
hetzner
Synthetic
art
code
medical
finance
legal
biology
chemistry
agent
climate
music
Apply filters
Datasets
15
Full-text search
Edit filters
Sort: Trending
Active filters:
chembl
Clear all
tlemenestrel/Smiles2Dock
Viewer
•
Updated
Aug 21, 2025
•
17.9M
•
415
•
1
wasitkrish/ChEMBL-ASK1-Fibrosis
Viewer
•
Updated
Feb 1
•
2.47k
•
15
wirthal1990-tech/USDA-Phytochemical-Database-JSON
Viewer
•
Updated
Jul 28
•
400
•
368
•
1
HUBioDataLab/SELFormerMM
Viewer
•
Updated
Sep 1
•
69.8k
•
123
juppy44/chembl-full
Viewer
•
Updated
Mar 23
•
1.98k
•
26
hssling/pd-discovery-benchmark-dashboard
Viewer
•
Updated
Apr 24
•
15
•
174
topu-benchmark/topu-lbvs
Updated
May 7
•
375
OTAR3088/ChEMBL_dict_annotated
Viewer
•
Updated
Jun 2
•
12
•
9
HauserGroup/ChEMBL36-SELFIES
Viewer
•
Updated
1 day ago
•
2.41M
•
40
ZemResearch/HippoCrates
Viewer
•
Updated
Jul 1
•
1.46M
•
7
•
1
XXiao/boltz_chembl_predictions
Updated
Aug 20
•
72
hyosoon0/kfold-affinity-labels
Updated
Aug 22
•
178
•
1
prakhya15/human-microbe-dataset
Preview
•
Updated
3 days ago
•
123
williamTLmiller/matrixnorm-bindingdb-chembl-ccbysa
Preview
•
Updated
14 days ago
•
187
introvoyz042/topu-lbvs
Updated
5 days ago
•
25