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Datasets:
jglaser
/
pdb_protein_ligand_complexes
like
5
Tags:
proteins
molecules
chemistry
SMILES
complex structures
Dataset card
Files
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1ee751f
pdb_protein_ligand_complexes
1 contributor
History:
10 commits
jglaser
add 2d conformers
1ee751f
about 2 years ago
data
add 2d conformers
about 2 years ago
.gitattributes
53 Bytes
initial commit
about 2 years ago
.gitignore
8 Bytes
initial commit
about 2 years ago
README.md
1.35 kB
only retain first ligand if there are multiple copies
about 2 years ago
batch_download.sh
2.36 kB
initial commit
about 2 years ago
parse_complexes.py
9.35 kB
add 2d conformers
about 2 years ago
pdb.slurm
189 Bytes
initial commit
about 2 years ago
pdb_protein_ligand_complexes.py
5.69 kB
add 2d conformers
about 2 years ago
requirements.txt
32 Bytes
initial commit
about 2 years ago
rsync.sh
734 Bytes
initial commit
about 2 years ago