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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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Community
44b1a31
protein_ligand_contacts
1 contributor
History:
17 commits
jglaser
fix two indexing bugs
44b1a31
over 2 years ago
data
fix two indexing bugs
over 2 years ago
README.md
Safe
1.52 kB
fix two indexing bugs
over 2 years ago
Untitled.ipynb
Safe
1.74 kB
add more cutoff distances
over 2 years ago
pdbbind.ipynb
21 kB
fix two indexing bugs
over 2 years ago
pdbbind.py
3.86 kB
fix two indexing bugs
over 2 years ago
pdbbind.slurm
Safe
239 Bytes
fix import
over 2 years ago
protein_ligand_contacts.py
Safe
5.74 kB
add more cutoff distances
over 2 years ago