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jglaser/binding_affinity
Viewer
•
Updated
Mar 12, 2022
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3.67M
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2.47k
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18
jglaser/protein_ligand_contacts
Viewer
•
Updated
Mar 15, 2022
•
20.8k
•
133
•
6
jglaser/pdbbind_complexes
Viewer
•
Updated
May 14, 2022
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16.1k
•
175
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1
jglaser/pdb_protein_ligand_complexes
Updated
Oct 13, 2022
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240
•
7
djh992/pdbbind_complex_GB2022
Viewer
•
Updated
Feb 20, 2023
•
14.9k
•
122
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1
alxfgh/PubChem10M_SELFIES
Viewer
•
Updated
May 6, 2023
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10M
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216
alxfgh/PubChem10M_SELFIES_Tokenized
Viewer
•
Updated
Apr 30, 2023
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4.99M
•
60
molvision/BACE-V-SMILES-2
Viewer
•
Updated
Sep 29
•
303
•
18
molport/In-stock-Database
Viewer
•
Updated
27 days ago
•
5.91M
•
72
molport/In-stock-Building-Block-Database
Viewer
•
Updated
27 days ago
•
858k
•
46
•
1
molport/In-stock-Screening-Compound-Database
Viewer
•
Updated
27 days ago
•
5.32M
•
63
•
1
molport/Drug-like-Compound-Library
Viewer
•
Updated
Sep 8
•
2.14M
•
8
molvision/BBBP-V-SMILES-2
Viewer
•
Updated
Oct 19
•
410
•
29
molvision/BACE-V-SMILES-4
Viewer
•
Updated
Sep 29
•
303
•
18
molvision/BBBP-V-SMILES-4
Viewer
•
Updated
Oct 22
•
410
•
25
molvision/CLINTOX-V-SMILES-2
Viewer
•
Updated
Oct 22
•
298
•
17
molvision/CLINTOX-V-SMILES-4
Viewer
•
Updated
Oct 22
•
298
•
24
Derify/antimalarial-classification
Viewer
•
Updated
Sep 26
•
4.79k
•
22
Derify/cocrystal-classification
Viewer
•
Updated
Sep 26
•
1.48k
•
41
Derify/covid-19-classification
Viewer
•
Updated
Sep 26
•
2.6k
•
23
molvision/TOX21-V-SMILES-2
Viewer
•
Updated
Oct 22
•
1.56k
•
17
molvision/TOX21-V-SMILES-4
Viewer
•
Updated
Oct 22
•
1.56k
•
20
molvision/ESOL-V-SMILES-2
Viewer
•
Updated
Oct 22
•
220
•
22
molvision/ESOL-V-SMILES-4
Viewer
•
Updated
Oct 22
•
220
•
22
molvision/ESOL-V-SMILES-0
Viewer
•
Updated
Oct 22
•
220
•
23
gbyuvd/chemq3-molsim-sft-smiles
Viewer
•
Updated
Oct 23
•
777k
•
31
molvision/BBBP-V-Train
Viewer
•
Updated
Oct 21
•
1.63k
•
22
molvision/BACE-V-Train
Viewer
•
Updated
Oct 21
•
1.21k
•
18
molvision/Clintox-V-Train
Viewer
•
Updated
Oct 21
•
1.04k
•
17
molvision/Tox21-V-Train
Viewer
•
Updated
Oct 21
•
6.16k
•
19
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