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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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Community
c44e973
pdb_protein_ligand_complexes
/
parse_complexes.py
Commit History
only retain first ligand if there are multiple copies
bc9f870
jglaser
commited on
Apr 9, 2022
Filter common ligands and ligands with <3 atoms
36d87d5
jglaser
commited on
Apr 5, 2022
minimum number of ligand atoms is 3
6297930
jglaser
commited on
Apr 5, 2022
initial commit
1d7245f
jglaser
commited on
Apr 1, 2022