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Datasets:
jglaser
/
protein_ligand_contacts
like
6
Modalities:
Tabular
Text
Size:
10K - 100K
Tags:
molecules
chemistry
SMILES
Libraries:
Datasets
Croissant
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Files
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protein_ligand_contacts
1 contributor
History:
20 commits
jglaser
remove hetero atoms
67f9dbf
over 2 years ago
data
remove hetero atoms
over 2 years ago
README.md
Safe
1.52 kB
fix two indexing bugs
over 2 years ago
pdbbind.ipynb
Safe
20.6 kB
remove hetero atoms
over 2 years ago
pdbbind.py
Safe
3.94 kB
remove hetero atoms
over 2 years ago
pdbbind.slurm
Safe
239 Bytes
fix import
over 2 years ago
protein_ligand_contacts.py
Safe
5.82 kB
fix loading script
over 2 years ago