Hugging Face
Models
Datasets
Spaces
Community
Docs
Enterprise
Pricing
Log In
Sign Up
Edit Datasets filters
Main
Tasks
Libraries
Languages
Licenses
Other
1
Reset Other
smiles
art
Synthetic
medical
code
biology
finance
legal
chemistry
music
climate
agent
Apply filters
Datasets
29
Full-text search
Edit filters
Sort: Trending
Active filters:
smiles
Clear all
jablonkagroup/chempile-mlift
Viewer
•
Updated
Jul 27
•
51.5M
•
16k
•
11
zpn/zinc20
Preview
•
Updated
Jan 6, 2023
•
515
•
15
alxfgh/PubChem10M_SELFIES
Viewer
•
Updated
May 6, 2023
•
10M
•
236
alxfgh/PubChem10M_SELFIES_Tokenized
Viewer
•
Updated
Apr 30, 2023
•
4.99M
•
80
pvrancx/tyk2_fep
Viewer
•
Updated
Dec 30, 2023
•
10k
•
46
Derify/augmented_canonical_pubchem_13m
Viewer
•
Updated
Sep 9
•
13.3M
•
50
Derify/augmented_canonical_druglike_QED_43M
Viewer
•
Updated
Sep 9
•
42.8M
•
78
Derify/safe_druglike_QED_33M
Viewer
•
Updated
Feb 24
•
33.6M
•
115
Derify/safe_pubchem_10m
Viewer
•
Updated
Feb 24
•
10.2M
•
87
karina-zadorozhny/ATOMICA
Viewer
•
Updated
Apr 28
•
343k
•
119
ChemFM/MolLangBench
Viewer
•
Updated
22 days ago
•
34.6k
•
279
•
1
jablonkagroup/chempile-lift
Viewer
•
Updated
Jul 26
•
176M
•
8.31k
•
6
Derify/pubchem_10m_genmol_similarity
Viewer
•
Updated
Sep 9
•
21M
•
177
futurehouse/ether0-benchmark
Viewer
•
Updated
Jun 24
•
325
•
380
•
15
Derify/druglike
Viewer
•
Updated
Sep 9
•
72M
•
92
molport/In-stock-Database
Viewer
•
Updated
24 days ago
•
5.91M
•
131
molport/In-stock-Building-Block-Database
Viewer
•
Updated
24 days ago
•
858k
•
54
•
1
molport/In-stock-Screening-Compound-Database
Viewer
•
Updated
24 days ago
•
5.32M
•
93
•
1
Derify/msr-acc-tae25-regression
Viewer
•
Updated
Sep 1
•
76.4k
•
44
Derify/augmented_canonical_druglike_QED_Pfizer_15M
Viewer
•
Updated
Sep 9
•
15.4M
•
76
molport/Drug-like-Compound-Library
Viewer
•
Updated
Sep 8
•
2.14M
•
9
Derify/antimalarial-classification
Viewer
•
Updated
Sep 26
•
4.79k
•
28
Derify/cocrystal-classification
Viewer
•
Updated
Sep 26
•
1.48k
•
35
Derify/covid-19-classification
Viewer
•
Updated
Sep 26
•
2.6k
•
28
gbyuvd/chemq3-molsim-sft-smiles
Viewer
•
Updated
Oct 23
•
777k
•
32
jeffdekerj/bms-images-shards
Updated
23 days ago
•
24
jeffdekerj/bms-images-shards-256
Updated
22 days ago
•
18
nfsrulesFR/mega-moledit-522K
Viewer
•
Updated
2 days ago
•
1.04M
•
40
nfsrulesFR/mega-moledit-large
Viewer
•
Updated
2 days ago
•
57.7M
•
75