jglaser/binding_affinity
Viewer
•
Updated
•
3.67M
•
1.4k
•
14
Edit Datasets filters
Active filters:
SMILES
djh992/pdbbind_complex_GB2022
Viewer
•
Updated
•
14.9k
•
82
•
1
jglaser/protein_ligand_contacts
Viewer
•
Updated
•
20.8k
•
67
•
6
jglaser/pdbbind_complexes
Viewer
•
Updated
•
16.1k
•
84
jglaser/pdb_protein_ligand_complexes
Updated
•
118
•
5
sagawa/pubchem-10m-canonicalized
Viewer
•
Updated
•
10M
•
95
•
1
sagawa/ZINC-canonicalized
Viewer
•
Updated
•
23M
•
62
BASF-AI/PubChemSMILESCanonDescPC
Viewer
•
Updated
•
2.05k
•
35
BASF-AI/PubChemSMILESCanonTitlePC
Viewer
•
Updated
•
2.05k
•
44
BASF-AI/PubChemSMILESIsoTitlePC
Viewer
•
Updated
•
2.05k
•
60
BASF-AI/CoconutSMILES2FormulaPC
Viewer
•
Updated
•
4k
•
40
BASF-AI/CoconutSmiles2NameBitextMining
Viewer
•
Updated
•
622k
•
51
BASF-AI/CoconutSMILES2FormulaBM
Viewer
•
Updated
•
4k
•
43
BASF-AI/CoconutSmiles2NameBitextMining2
Viewer
•
Updated
•
5k
•
41
molssiai-hub/pubchem-07-23-2024
Updated
•
57
•
1
BASF-AI/PubChemSMILESIsoTitleBM
Viewer
•
Updated
•
7.07k
•
38
BASF-AI/PubChemSMILESIsoDescBM
Viewer
•
Updated
•
7.07k
•
42
BASF-AI/PubChemSMILESCanonTitleBM
Viewer
•
Updated
•
15.5k
•
28
BASF-AI/PubChemSMILESCanonDescBM
Viewer
•
Updated
•
15.5k
•
45
scbirlab/lyu-wang-balius-singh-2019-ampc
Viewer
•
Updated
•
96.2M
•
35
scbirlab/lyu-wang-balius-singh-2019-d4
Viewer
•
Updated
•
116M
•
70
molssiai-hub/pubchem-10-15-2024
Updated
•
98
scbirlab/cyc-pep-6-12mer-70M-2024
Viewer
•
Updated
•
125M
•
42
scbirlab/steshin-2023-lohi
Viewer
•
Updated
•
119k
•
25
scbirlab/fang-2023-biogen-adme
Viewer
•
Updated
•
7.04k
•
29
scbirlab/cyc-pep-6-12mer-650M-2024
Viewer
•
Updated
•
1.2B
•
87