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zpn/zinc20
Preview
•
Updated
Jan 6, 2023
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548
•
15
alxfgh/PubChem10M_SELFIES
Viewer
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Updated
May 6, 2023
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10M
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303
alxfgh/PubChem10M_SELFIES_Tokenized
Viewer
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Updated
Apr 30, 2023
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4.99M
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52
pvrancx/tyk2_fep
Viewer
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Updated
Dec 30, 2023
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10k
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45
Derify/augmented_canonical_pubchem_13m
Viewer
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Updated
Sep 9
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13.3M
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101
Derify/augmented_canonical_druglike_QED_43M
Viewer
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Updated
Sep 9
•
42.8M
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82
Derify/safe_druglike_QED_33M
Viewer
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Updated
Feb 24
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33.6M
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83
Derify/safe_pubchem_10m
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Updated
Feb 24
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10.2M
•
116
karina-zadorozhny/ATOMICA
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Updated
Apr 28
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343k
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118
jablonkagroup/chempile-mlift
Viewer
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Updated
Jul 27
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51.5M
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15.7k
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11
ChemFM/MolLangBench
Viewer
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Updated
Nov 15
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34.6k
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167
•
1
jablonkagroup/chempile-lift
Viewer
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Updated
Jul 26
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176M
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9.49k
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6
Derify/pubchem_10m_genmol_similarity
Viewer
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Updated
Sep 9
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21M
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197
futurehouse/ether0-benchmark
Viewer
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Updated
Jun 24
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325
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396
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15
Derify/druglike
Viewer
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Updated
Sep 9
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72M
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90
molport/In-stock-Database
Viewer
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Updated
14 days ago
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5.89M
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88
molport/In-stock-Building-Block-Database
Viewer
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Updated
14 days ago
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870k
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46
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1
molport/In-stock-Screening-Compound-Database
Viewer
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Updated
14 days ago
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5.28M
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59
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1
Derify/msr-acc-tae25-regression
Viewer
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Updated
Sep 1
•
76.4k
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33
Derify/augmented_canonical_druglike_QED_Pfizer_15M
Viewer
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Updated
Sep 9
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15.4M
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66
molport/Drug-like-Compound-Library
Viewer
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Updated
Sep 8
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2.14M
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8
Derify/antimalarial-classification
Viewer
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Updated
Sep 26
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4.79k
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25
Derify/cocrystal-classification
Viewer
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Updated
Sep 26
•
1.48k
•
58
Derify/covid-19-classification
Viewer
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Updated
Sep 26
•
2.6k
•
23
gbyuvd/chemq3-molsim-sft-smiles
Viewer
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Updated
Oct 23
•
777k
•
17
summykai/chemistry-sft-ultra
Viewer
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Updated
7 days ago
•
1.37M
•
39
jeffdekerj/bms-images-shards
Updated
Nov 13
•
17
jeffdekerj/bms-images-shards-256
Updated
Nov 14
•
9
nfsrulesFR/mega-moledit-522K
Viewer
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Updated
21 days ago
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1.04M
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25
nfsrulesFR/mega-moledit-large
Viewer
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Updated
21 days ago
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57.7M
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69
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