zpn/zinc20
Preview
•
Updated
•
445
•
15
Edit Datasets filters
Active filters:
smiles
alxfgh/PubChem10M_SELFIES
Viewer
•
Updated
•
10M
•
203
alxfgh/PubChem10M_SELFIES_Tokenized
Viewer
•
Updated
•
4.99M
•
76
pvrancx/tyk2_fep
Viewer
•
Updated
•
10k
•
39
Derify/augmented_canonical_pubchem_13m
Viewer
•
Updated
•
13.3M
•
43
Derify/augmented_canonical_druglike_QED_43M
Viewer
•
Updated
•
42.8M
•
73
Derify/safe_druglike_QED_33M
Viewer
•
Updated
•
33.6M
•
97
Derify/safe_pubchem_10m
Viewer
•
Updated
•
10.2M
•
75
karina-zadorozhny/ATOMICA
Viewer
•
Updated
•
343k
•
132
jablonkagroup/chempile-mlift
Viewer
•
Updated
•
51.5M
•
16.2k
•
9
ChemFM/MolLangBench
Viewer
•
Updated
•
34.6k
•
318
•
1
jablonkagroup/chempile-lift
Viewer
•
Updated
•
176M
•
8.18k
•
6
Derify/pubchem_10m_genmol_similarity
Viewer
•
Updated
•
21M
•
163
futurehouse/ether0-benchmark
Viewer
•
Updated
•
325
•
397
•
15
Derify/druglike
Viewer
•
Updated
•
72M
•
79
molport/In-stock-Database
Viewer
•
Updated
•
5.91M
•
141
molport/In-stock-Building-Block-Database
Viewer
•
Updated
•
858k
•
53
•
1
molport/In-stock-Screening-Compound-Database
Viewer
•
Updated
•
5.32M
•
112
•
1
Derify/msr-acc-tae25-regression
Viewer
•
Updated
•
76.4k
•
39
Derify/augmented_canonical_druglike_QED_Pfizer_15M
Viewer
•
Updated
•
15.4M
•
77
molport/Drug-like-Compound-Library
Viewer
•
Updated
•
2.14M
•
8
Derify/antimalarial-classification
Viewer
•
Updated
•
4.79k
•
23
Derify/cocrystal-classification
Viewer
•
Updated
•
1.48k
•
30
Derify/covid-19-classification
Viewer
•
Updated
•
2.6k
•
24
gbyuvd/chemq3-molsim-sft-smiles
Viewer
•
Updated
•
777k
•
24
jeffdekerj/bms-images-shards
Updated
•
23
jeffdekerj/bms-images-shards-256
Updated
•
17
nfsrulesFR/mega-moledit-522K
Viewer
•
Updated
•
1.04M
•
37
nfsrulesFR/mega-moledit-large
Viewer
•
Updated
•
57.7M
•
49