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jglaser/binding_affinity
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Updated
Mar 12, 2022
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3.67M
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1.3k
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14
djh992/pdbbind_complex_GB2022
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Updated
Feb 20, 2023
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14.9k
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49
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1
jglaser/protein_ligand_contacts
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Updated
Mar 15, 2022
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20.8k
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77
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7
jglaser/pdbbind_complexes
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Updated
May 14, 2022
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16.1k
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72
jglaser/pdb_protein_ligand_complexes
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Oct 13, 2022
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180
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5
sagawa/pubchem-10m-canonicalized
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Updated
Sep 4, 2022
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10M
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92
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1
sagawa/ZINC-canonicalized
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Updated
Sep 4, 2022
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23M
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66
BASF-We-Create-Chemistry/PubChemSMILESCanonDescPC
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Updated
Sep 23
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2.05k
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49
BASF-We-Create-Chemistry/PubChemSMILESCanonTitlePC
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Updated
Sep 23
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2.05k
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49
BASF-We-Create-Chemistry/PubChemSMILESIsoTitlePC
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Updated
Sep 23
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2.05k
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50
BASF-We-Create-Chemistry/CoconutSMILES2FormulaPC
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Updated
20 days ago
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4k
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52
BASF-We-Create-Chemistry/CoconutSmiles2NameBitextMining
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Updated
28 days ago
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622k
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55
BASF-We-Create-Chemistry/CoconutSMILES2FormulaBM
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Updated
21 days ago
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4k
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41
BASF-We-Create-Chemistry/CoconutSmiles2NameBitextMining2
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Updated
28 days ago
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5k
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49
molssiai-hub/pubchem-07-23-2024
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Aug 30
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78
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1
BASF-We-Create-Chemistry/PubChemSMILESIsoTitleBM
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Updated
Sep 23
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7.07k
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47
BASF-We-Create-Chemistry/PubChemSMILESIsoDescBM
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Updated
Sep 23
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7.07k
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43
BASF-We-Create-Chemistry/PubChemSMILESCanonTitleBM
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Updated
Sep 23
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15.5k
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42
BASF-We-Create-Chemistry/PubChemSMILESCanonDescBM
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Updated
Sep 23
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15.5k
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45
scbirlab/lyu-wang-balius-singh-2019-ampc
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Updated
17 days ago
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96.2M
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58
scbirlab/lyu-wang-balius-singh-2019-d4
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Updated
17 days ago
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116M
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168
molssiai-hub/pubchem-10-15-2024
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8 days ago
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188