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jglaser/binding_affinity
Viewer
•
Updated
Mar 12, 2022
•
3.67M
•
428
•
18
jglaser/protein_ligand_contacts
Viewer
•
Updated
Mar 15, 2022
•
20.8k
•
16
•
6
jglaser/pdbbind_complexes
Viewer
•
Updated
May 14, 2022
•
16.1k
•
20
•
1
jglaser/pdb_protein_ligand_complexes
Updated
Oct 13, 2022
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67
•
7
djh992/pdbbind_complex_GB2022
Viewer
•
Updated
Feb 20, 2023
•
14.9k
•
29
•
1
alxfgh/PubChem10M_SELFIES
Viewer
•
Updated
May 6, 2023
•
10M
•
72
alxfgh/PubChem10M_SELFIES_Tokenized
Viewer
•
Updated
Apr 30, 2023
•
4.99M
•
84
molvision/BACE-V-SMILES-2
Viewer
•
Updated
Sep 29
•
303
•
14
molport/In-stock-Database
Viewer
•
Updated
about 11 hours ago
•
5.91M
•
172
molport/In-stock-Building-Block-Database
Viewer
•
Updated
about 10 hours ago
•
858k
•
25
•
1
molport/In-stock-Screening-Compound-Database
Viewer
•
Updated
about 10 hours ago
•
5.32M
•
132
•
1
molport/Drug-like-Compound-Library
Viewer
•
Updated
Sep 8
•
2.14M
•
9
molvision/BBBP-V-SMILES-2
Viewer
•
Updated
23 days ago
•
410
•
29
molvision/BACE-V-SMILES-4
Viewer
•
Updated
Sep 29
•
303
•
25
molvision/BBBP-V-SMILES-4
Viewer
•
Updated
20 days ago
•
410
•
17
molvision/CLINTOX-V-SMILES-2
Viewer
•
Updated
20 days ago
•
298
•
13
molvision/CLINTOX-V-SMILES-4
Viewer
•
Updated
20 days ago
•
298
•
16
Derify/antimalarial-classification
Viewer
•
Updated
Sep 26
•
4.79k
•
10
Derify/cocrystal-classification
Viewer
•
Updated
Sep 26
•
1.48k
•
30
Derify/covid-19-classification
Viewer
•
Updated
Sep 26
•
2.6k
•
24
molvision/TOX21-V-SMILES-2
Viewer
•
Updated
20 days ago
•
1.56k
•
18
molvision/TOX21-V-SMILES-4
Viewer
•
Updated
20 days ago
•
1.56k
•
22
molvision/ESOL-V-SMILES-2
Viewer
•
Updated
20 days ago
•
220
•
21
molvision/ESOL-V-SMILES-4
Viewer
•
Updated
20 days ago
•
220
•
15
molvision/ESOL-V-SMILES-0
Viewer
•
Updated
20 days ago
•
220
•
22
gbyuvd/chemq3-molsim-sft-smiles
Viewer
•
Updated
19 days ago
•
777k
•
15
molvision/BBBP-V-Train
Viewer
•
Updated
21 days ago
•
1.63k
•
29
molvision/BACE-V-Train
Viewer
•
Updated
21 days ago
•
1.21k
•
32
molvision/Clintox-V-Train
Viewer
•
Updated
21 days ago
•
1.04k
•
29
molvision/Tox21-V-Train
Viewer
•
Updated
21 days ago
•
6.16k
•
26
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