Hugging Face
Models
Datasets
Spaces
Community
Docs
Enterprise
Pricing
Log In
Sign Up
Datasets:
jglaser
/
binding_affinity
like
20
Modalities:
Tabular
Text
Size:
1M - 10M
Tags:
molecules
chemistry
SMILES
Libraries:
Datasets
Croissant
Dataset card
Data Studio
Files
Files and versions
xet
Community
2
8c24393
binding_affinity
241 MB
1 contributor
History:
29 commits
jglaser
add dude processing scripts
8c24393
over 4 years ago
data
add DUDE test data set
over 4 years ago
.gitattributes
107 Bytes
add DUDE test data set
over 4 years ago
README.md
2.07 kB
update README
almost 5 years ago
binding_affinity.py
7.79 kB
update loader script
almost 5 years ago
bindingdb.ipynb
25.9 kB
update notebooks
over 4 years ago
biolip.ipynb
17 kB
update notebooks
over 4 years ago
biolip.py
1.49 kB
Add README.md, notebooks and preprocessing scripts
almost 5 years ago
biolip.slurm
188 Bytes
add slurm scripts
over 4 years ago
combine_dbs.ipynb
63.3 kB
update notebooks
over 4 years ago
dude.py
2.01 kB
add dude processing scripts
over 4 years ago
dude.slurm
154 Bytes
add dude processing scripts
over 4 years ago
dude_combine.py
229 Bytes
add dude processing scripts
over 4 years ago
moad.ipynb
17.1 kB
update notebooks
over 4 years ago
moad.py
930 Bytes
Add README.md, notebooks and preprocessing scripts
almost 5 years ago
moad.slurm
182 Bytes
add slurm scripts
over 4 years ago
pdbbind.ipynb
7.39 kB
update notebooks
over 4 years ago
pdbbind.py
1.18 kB
Add README.md, notebooks and preprocessing scripts
almost 5 years ago
pdbbind.slurm
162 Bytes
add slurm scripts
over 4 years ago
requirements.txt
56 Bytes
remove outliers
almost 5 years ago
