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Datasets:
vmsavla
/
ro4_vs_d2
like
0
Modalities:
Text
Formats:
parquet
Languages:
English
Size:
10M - 100M
Tags:
chemistry
biology
virtual-screening
docking
drug-discovery
machine-learning
+ 1
Libraries:
Datasets
Dask
Croissant
+ 1
License:
mit
Dataset card
Data Studio
Files
Files and versions
xet
Community
1
main
ro4_vs_d2
/
src
9.68 kB
1 contributor
History:
2 commits
vmsavla
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73a57ff
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about 1 year ago
01_load_data_from_zenodo.sh
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about 1 year ago
02_sanitize_molecules.py
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1.99 kB
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about 1 year ago
03_split_scaffold.py
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3.18 kB
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04_fingerprints.py
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05_xgboost_lowmem.py
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2.7 kB
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about 1 year ago