Hugging Face's logo Hugging Face
  • Models
  • Datasets
  • Spaces
  • Docs
  • Enterprise
  • Pricing

  • Log In
  • Sign Up

Datasets:
vmsavla
/
ro4_vs_d2

Modalities:
Text
Formats:
parquet
Languages:
English
Size:
10M - 100M
Tags:
chemistry
biology
virtual-screening
docking
drug-discovery
machine-learning
Libraries:
Datasets
Dask
License:
Dataset card Data Studio Files Files and versions
xet
Community
1
ro4_vs_d2 / src
9.68 kB
  • 1 contributor
History: 2 commits
vmsavla's picture
vmsavla
Upload 4 files
73a57ff verified 8 months ago
  • 01_load_data_from_zenodo.sh
    144 Bytes
    Create src/01_load_data_from_zenodo.sh 8 months ago
  • 02_sanitize_molecules.py
    1.99 kB
    Upload 4 files 8 months ago
  • 03_split_scaffold.py
    3.18 kB
    Upload 4 files 8 months ago
  • 04_fingerprints.py
    1.67 kB
    Upload 4 files 8 months ago
  • 05_xgboost_lowmem.py
    2.7 kB
    Upload 4 files 8 months ago