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kjappelbaum
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awesome-chemistry-datasets
overview of datasets for ML in chemistry
Creative Commons Zero v1.0 Universal
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add minKLIFSAI data
#74
phalem
opened
1 month ago
1
Add RCSB PDB for protein structures
#73
priyanshurg
opened
4 months ago
0
invalid link for SolProp
#72
qai222
opened
8 months ago
0
add MoleculeACE benchmark datasets and MPCD datasets in molecular activity prediction
#71
shenwanxiang
closed
11 months ago
0
add reference to https://github.com/sedaoturak/data-resources-for-materials-science
#70
kjappelbaum
opened
12 months ago
0
Add glycoscience data resources
#69
phalem
opened
1 year ago
0
Add PCBA dataset
#68
phalem
closed
1 year ago
1
Add sider dataset for drug side effects
#67
phalem
closed
1 year ago
0
add adme dataset
#66
kjappelbaum
opened
1 year ago
0
add protein-drug interaction dataset
#65
kjappelbaum
opened
1 year ago
0
Add RDB7 dataset
#64
kspieks
closed
1 year ago
1
add pka dataset
#63
kjappelbaum
opened
1 year ago
0
Add https://arxiv.org/abs/2305.18454
#62
kjappelbaum
opened
1 year ago
0
Fixed USPTO typo
#61
maykcaldas
closed
1 year ago
1
Added BigSolDB
#60
maykcaldas
closed
1 year ago
1
Update Elsevier OA CC-BY Corpus to Version 3
#59
MicPie
closed
1 year ago
1
BigSolDB
#58
whitead
closed
1 year ago
1
Update README.md
#57
adamoyoung
closed
1 year ago
1
Add NLMChem
#56
apoorvasrinivasan26
closed
1 year ago
1
Update README.md
#55
apoorvasrinivasan26
closed
1 year ago
1
Safety Data Sheets
#54
agitter
opened
1 year ago
2
updated h2 storage dataset link
#53
bethanyconnolly
closed
1 year ago
1
collaborativedrug
#52
kjappelbaum
opened
1 year ago
0
molecular entitites in linked data
#51
kjappelbaum
opened
1 year ago
0
Wikipedia list
#50
kjappelbaum
opened
1 year ago
1
Update README.md
#49
IfraSa
closed
1 year ago
1
LOTUS
#48
agitter
closed
1 year ago
1
add link to related lists
#47
kjappelbaum
opened
1 year ago
0
Add tdc data and PAMPA Permeability, NCATS
#46
phalem
closed
1 year ago
1
PsychonautWiki
#45
whitead
closed
1 year ago
1
ORD
#44
whitead
closed
1 year ago
1
Add UV VIS dataset
#43
kjappelbaum
opened
1 year ago
0
Add Natural product, NMR data and Pharmacology, ADME, metabolism sect…
#42
phalem
closed
1 year ago
1
add DID database for drug indication ontologies
#41
phalem
closed
1 year ago
0
feat: Add contribution guide
#40
kjappelbaum
closed
1 year ago
0
Adding target identification resource data
#39
phalem
closed
1 year ago
1
Add chemical probes
#38
kjappelbaum
opened
1 year ago
0
Add contribution guide
#37
kjappelbaum
closed
1 year ago
0
OnSIDES
#36
agitter
closed
1 year ago
1
Clinical trials
#35
agitter
closed
1 year ago
1
ChemBL
#34
kjappelbaum
opened
1 year ago
0
add libretexts
#33
kjappelbaum
closed
1 year ago
0
feat: add chemtables
#32
kjappelbaum
closed
1 year ago
0
feat: Add papyrus dataset ( for bioactivity prediction)
#31
phalem
closed
1 year ago
1
feat: add openstax
#30
kjappelbaum
closed
1 year ago
0
feat: activity cliff dataset
#29
kjappelbaum
closed
1 year ago
0
feat: Add link to hydride DB
#28
kjappelbaum
closed
1 year ago
0
feat: add Ionic liquid NIST database
#27
kjappelbaum
closed
1 year ago
0
Add S2ORC dataset
#26
kjappelbaum
closed
1 year ago
0
RMechDB
#25
kjappelbaum
opened
1 year ago
0
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