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theochem
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B3DB
A large benchmark dataset, Blood-Brain Barrier Database (B3DB), complied from 50 published resources.
Creative Commons Zero v1.0 Universal
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Bump scipy from 1.5.2 to 1.10.0
#31
dependabot[bot]
closed
1 year ago
1
Drop `smiles_result` column to avoid ambiguity
#30
FanwangM
closed
1 year ago
0
What is the smiles_result column?
#29
HenryJia
closed
1 year ago
3
Experimentally determined or computationally predicted
#28
sumone-compbio
closed
1 year ago
3
Fix dependabot alerts by upgrading numpy version
#27
FanwangM
closed
1 year ago
0
Add new molecules from B3cls
#26
PaulWAyers
opened
1 year ago
0
Fix security flaw from Numpy
#25
PaulWAyers
closed
1 year ago
1
B3DB Antiviral dataset
#24
Shania99
opened
2 years ago
1
Collaboration: Developing a specified database for antivirals that are BBB permeable.
#23
ssiddhantsharma
opened
2 years ago
3
Fix problem of molecule 847
#22
FanwangM
opened
2 years ago
0
Add more curated data for a new relaese
#21
FanwangM
opened
2 years ago
3
Add CITATION.cff
#20
FanwangM
closed
2 years ago
0
Add MyBinder link for one notebook
#19
FanwangM
closed
3 years ago
0
Add notebook for precomputed descriptors and update `README.md`
#18
FanwangM
closed
3 years ago
0
Update README.md
#17
FanwangM
closed
3 years ago
0
Add notebooks to show how use B3DB dataset
#16
FanwangM
closed
3 years ago
0
Update general script to build environment
#15
FanwangM
closed
3 years ago
0
Add openeye-toolkit and update version information of other packages
#14
FanwangM
closed
3 years ago
0
Update package dependencies and installation guidelines
#13
FanwangM
closed
3 years ago
0
Fix README.md
#12
FanwangM
closed
3 years ago
0
Add License and its description
#11
FanwangM
closed
3 years ago
0
Fix typos and add codes to load classification data
#10
FanwangM
closed
3 years ago
0
Add about, citation, feature and usage of B3DB
#9
FanwangM
closed
3 years ago
0
Add about in GitHub
#8
FanwangM
closed
3 years ago
0
Add final data
#7
FanwangM
closed
3 years ago
0
Fix nan strings in final data
#6
FanwangM
closed
3 years ago
0
Add grouping module for classification, regression datasets
#5
FanwangM
closed
3 years ago
0
Add cleaning module
#4
FanwangM
closed
3 years ago
0
Add preprocessing module
#3
FanwangM
closed
3 years ago
0
Add source data and summary
#2
FanwangM
closed
3 years ago
0
Choose a license for this database
#1
FanwangM
closed
3 years ago
1