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jglaser/binding_affinity
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•
Updated
Mar 12, 2022
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3.67M
•
2.49k
•
21
jglaser/protein_ligand_contacts
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Updated
Mar 15, 2022
•
20.8k
•
102
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9
jglaser/pdbbind_complexes
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Updated
May 14, 2022
•
16.1k
•
164
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1
jglaser/pdb_protein_ligand_complexes
Updated
Oct 13, 2022
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263
•
7
sagawa/pubchem-10m-canonicalized
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•
Updated
Sep 4, 2022
•
10M
•
121
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7
sagawa/ZINC-canonicalized
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Updated
Sep 4, 2022
•
23M
•
360
djh992/pdbbind_complex_GB2022
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Updated
Feb 20, 2023
•
14.9k
•
85
•
1
BASF-AI/PubChemSMILESCanonDescPC
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Updated
Sep 23, 2024
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2.05k
•
28
BASF-AI/PubChemSMILESCanonTitlePC
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Updated
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2.05k
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26
BASF-AI/PubChemSMILESIsoTitlePC
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Updated
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2.05k
•
13
BASF-AI/CoconutSMILES2FormulaPC
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4k
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23
BASF-AI/CoconutSmiles2NameBitextMining
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622k
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45
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1
BASF-AI/CoconutSMILES2FormulaBM
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4k
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21
BASF-AI/CoconutSmiles2NameBitextMining2
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5k
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15
molssiai-hub/pubchem-07-23-2024
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45
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1
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Updated
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7.07k
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32
BASF-AI/PubChemSMILESIsoDescBM
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7.07k
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9
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15.5k
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26
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46
scbirlab/lyu-wang-balius-singh-2019-ampc
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Updated
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96.2M
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112
scbirlab/lyu-wang-balius-singh-2019-d4
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Updated
Oct 7, 2024
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116M
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63
molssiai-hub/pubchem-10-15-2024
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297
scbirlab/cyc-pep-6-12mer-70M-2024
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Nov 1, 2024
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125M
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202
scbirlab/steshin-2023-lohi
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Oct 31, 2024
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119k
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272
scbirlab/fang-2023-biogen-adme
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Updated
Dec 16, 2025
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7.04k
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118
scbirlab/cyc-pep-6-12mer-650M-2024
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Updated
Nov 4, 2024
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1.2B
•
308
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1
scbirlab/hudson-2023-dosedo
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Updated
Dec 30, 2024
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7.45M
•
13
karina-zadorozhny/M320M
Viewer
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Updated
Feb 26, 2025
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21.5M
•
678
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1
molssiai-hub/pubchem-02-21-2025
Updated
Jul 22, 2025
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122
scbirlab/thomas-2018-spark-wt
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Updated
Oct 26, 2025
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230k
•
440
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