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Datasets:
jglaser
/
pdbbind_complexes

Modalities:
Text
Size:
10K - 100K
Tags:
molecules
chemistry
SMILES
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Dataset card Data Studio Files Files and versions Community
pdbbind_complexes
  • 1 contributor
History: 11 commits
jglaser's picture
jglaser
try switch order of fields
e7b3733 about 3 years ago
  • data
    canonicalize atom order to generate unique local frames about 3 years ago
  • README.md
    1.28 kB
    update README about 3 years ago
  • pdbbind.ipynb
    20.9 kB
    initial commit about 3 years ago
  • pdbbind.py
    6.32 kB
    forgot to include updated scripts about 3 years ago
  • pdbbind.slurm
    161 Bytes
    add local frame info for molecules about 3 years ago
  • pdbbind_complexes.py
    5.73 kB
    try switch order of fields about 3 years ago