jglaser/binding_affinity
Viewer
•
Updated
•
3.67M
•
2.25k
•
18
Edit Datasets filters
Active filters:
SMILES
jglaser/protein_ligand_contacts
Viewer
•
Updated
•
20.8k
•
129
•
6
jglaser/pdbbind_complexes
Viewer
•
Updated
•
16.1k
•
169
•
1
jglaser/pdb_protein_ligand_complexes
Updated
•
227
•
7
sagawa/pubchem-10m-canonicalized
Viewer
•
Updated
•
10M
•
250
•
6
sagawa/ZINC-canonicalized
Viewer
•
Updated
•
23M
•
358
djh992/pdbbind_complex_GB2022
Viewer
•
Updated
•
14.9k
•
110
•
1
BASF-AI/PubChemSMILESCanonDescPC
Viewer
•
Updated
•
2.05k
•
25
BASF-AI/PubChemSMILESCanonTitlePC
Viewer
•
Updated
•
2.05k
•
19
BASF-AI/PubChemSMILESIsoTitlePC
Viewer
•
Updated
•
2.05k
•
36
BASF-AI/CoconutSMILES2FormulaPC
Viewer
•
Updated
•
4k
•
17
BASF-AI/CoconutSmiles2NameBitextMining
Viewer
•
Updated
•
622k
•
29
•
1
BASF-AI/CoconutSMILES2FormulaBM
Viewer
•
Updated
•
4k
•
33
BASF-AI/CoconutSmiles2NameBitextMining2
Viewer
•
Updated
•
5k
•
28
molssiai-hub/pubchem-07-23-2024
Updated
•
74
•
1
BASF-AI/PubChemSMILESIsoTitleBM
Viewer
•
Updated
•
7.07k
•
20
BASF-AI/PubChemSMILESIsoDescBM
Viewer
•
Updated
•
7.07k
•
19
BASF-AI/PubChemSMILESCanonTitleBM
Viewer
•
Updated
•
15.5k
•
20
BASF-AI/PubChemSMILESCanonDescBM
Viewer
•
Updated
•
15.5k
•
23
scbirlab/lyu-wang-balius-singh-2019-ampc
Viewer
•
Updated
•
96.2M
•
201
scbirlab/lyu-wang-balius-singh-2019-d4
Viewer
•
Updated
•
116M
•
271
molssiai-hub/pubchem-10-15-2024
Updated
•
50
molssiai-hub/pubchem-10-15-2024-selfies
Updated
•
35
scbirlab/cyc-pep-6-12mer-70M-2024
Viewer
•
Updated
•
125M
•
487
scbirlab/steshin-2023-lohi
Viewer
•
Updated
•
119k
•
609
scbirlab/fang-2023-biogen-adme
Viewer
•
Updated
•
7.04k
•
29
scbirlab/cyc-pep-6-12mer-650M-2024
Viewer
•
Updated
•
1.2B
•
170
•
1
scbirlab/hudson-2023-dosedo
Viewer
•
Updated
•
7.45M
•
44
karina-zadorozhny/M320M
Viewer
•
Updated
•
21.5M
•
345
•
1
molssiai-hub/pubchem-02-21-2025
Updated
•
77