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Datasets:
jglaser
/
pdbbind_complexes
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Tags:
molecules
chemistry
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Croissant
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pdbbind_complexes
1 contributor
History:
11 commits
jglaser
try switch order of fields
e7b3733
almost 2 years ago
data
canonicalize atom order to generate unique local frames
almost 2 years ago
README.md
1.28 kB
update README
about 2 years ago
pdbbind.ipynb
20.9 kB
initial commit
about 2 years ago
pdbbind.py
6.32 kB
forgot to include updated scripts
almost 2 years ago
pdbbind.slurm
161 Bytes
add local frame info for molecules
almost 2 years ago
pdbbind_complexes.py
5.73 kB
try switch order of fields
almost 2 years ago