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hheiden/PubChem-124M-SMILES-SELFIES-InChI-IUPAC
Viewer
•
Updated
17 days ago
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123M
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248
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5
jglaser/binding_affinity
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Updated
Mar 12, 2022
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3.67M
•
1.24k
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19
jglaser/protein_ligand_contacts
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Updated
Mar 15, 2022
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20.8k
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29
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6
jglaser/pdbbind_complexes
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Updated
May 14, 2022
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16.1k
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35
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1
jglaser/pdb_protein_ligand_complexes
Updated
Oct 13, 2022
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156
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7
djh992/pdbbind_complex_GB2022
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Updated
Feb 20, 2023
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14.9k
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8
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1
alxfgh/PubChem10M_SELFIES
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Updated
May 6, 2023
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10M
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92
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1
alxfgh/PubChem10M_SELFIES_Tokenized
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Updated
Apr 30, 2023
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4.99M
•
11
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2
datamol-io/safe-gpt
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Updated
18 days ago
•
1.17B
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859
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3
molvision/BACE-V-SMILES-2
Viewer
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Updated
Sep 29, 2025
•
303
•
323
molport/In-stock-Database
Viewer
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Updated
16 days ago
•
5.92M
•
86
molport/In-stock-Building-Block-Database
Viewer
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Updated
16 days ago
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864k
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44
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1
molport/In-stock-Screening-Compound-Database
Viewer
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Updated
16 days ago
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5.32M
•
52
•
1
molport/Drug-like-Compound-Library
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Updated
Sep 8, 2025
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2.14M
•
5
molvision/BBBP-V-SMILES-2
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•
Updated
Oct 19, 2025
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410
•
120
molvision/BACE-V-SMILES-4
Viewer
•
Updated
Sep 29, 2025
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303
•
4
molvision/BBBP-V-SMILES-4
Viewer
•
Updated
Oct 22, 2025
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410
•
21
molvision/CLINTOX-V-SMILES-2
Viewer
•
Updated
Oct 22, 2025
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298
•
179
molvision/CLINTOX-V-SMILES-4
Viewer
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Updated
Oct 22, 2025
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298
•
5
Derify/antimalarial-classification
Viewer
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Updated
Sep 26, 2025
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4.79k
•
31
Derify/cocrystal-classification
Viewer
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Updated
Sep 26, 2025
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1.48k
•
41
Derify/covid-19-classification
Viewer
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Updated
Sep 26, 2025
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2.6k
•
8
molvision/TOX21-V-SMILES-2
Viewer
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Updated
Oct 22, 2025
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1.56k
•
74
molvision/TOX21-V-SMILES-4
Viewer
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Updated
Oct 22, 2025
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1.56k
•
3
molvision/ESOL-V-SMILES-2
Viewer
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Updated
Oct 22, 2025
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220
•
59
molvision/ESOL-V-SMILES-4
Viewer
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Updated
Oct 22, 2025
•
220
•
2
molvision/ESOL-V-SMILES-0
Viewer
•
Updated
Oct 22, 2025
•
220
•
6
gbyuvd/chemq3-molsim-sft-smiles
Viewer
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Updated
Oct 23, 2025
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777k
•
7
molvision/BBBP-V-Train
Viewer
•
Updated
Oct 21, 2025
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1.63k
•
125
molvision/BACE-V-Train
Viewer
•
Updated
Oct 21, 2025
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1.21k
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68
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