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Datasets:
jglaser
/
protein_ligand_contacts
like
5
Tags:
molecules
chemistry
SMILES
Croissant
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44b1a31
protein_ligand_contacts
1 contributor
History:
17 commits
jglaser
fix two indexing bugs
44b1a31
about 2 years ago
data
fix two indexing bugs
about 2 years ago
README.md
1.52 kB
fix two indexing bugs
about 2 years ago
Untitled.ipynb
1.74 kB
add more cutoff distances
about 2 years ago
pdbbind.ipynb
21 kB
fix two indexing bugs
about 2 years ago
pdbbind.py
3.86 kB
fix two indexing bugs
about 2 years ago
pdbbind.slurm
239 Bytes
fix import
about 2 years ago
protein_ligand_contacts.py
5.74 kB
add more cutoff distances
about 2 years ago