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MISATO-dataset
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Adaptability_protein_dynamics
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ce29497
Adaptability_protein_dynamics
6 contributors
History:
30 commits
stochasticribosome
Add pytraj to requirements
ce29497
over 1 year ago
code
added requirements
over 1 year ago
maps
preprocessing for inference (#6)
over 1 year ago
.gitattributes
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1.48 kB
initial commit
over 1 year ago
11GS.pdb
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328 kB
scripts from other repo
over 1 year ago
AmberTools22.tar.bz2
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519 MB
LFS
added ambertools
over 1 year ago
Dockerfile
723 Bytes
Add AMBER path
over 1 year ago
MDmodel.py
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1.6 kB
scripts from other repo
over 1 year ago
README.md
208 Bytes
initial commit
over 1 year ago
app.py
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5.1 kB
Set white background
over 1 year ago
best_weights_rep0.pt
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pickle
Detected Pickle imports (4)
"collections.OrderedDict"
,
"torch.LongStorage"
,
"torch._utils._rebuild_tensor_v2"
,
"torch.FloatStorage"
What is a pickle import?
4.52 MB
LFS
scripts from other repo
over 1 year ago
graph.py
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6.22 kB
scripts from other repo
over 1 year ago
inference_for_md.hdf5
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61.9 kB
scripts from other repo
over 1 year ago
main.py
9.51 kB
Fix pdb_file bug
over 1 year ago
old_main.py
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776 Bytes
container
over 1 year ago
requirements.txt
66 Bytes
Add pytraj to requirements
over 1 year ago
transformMD.py
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621 Bytes
scripts from other repo
over 1 year ago
transforms.py
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2.43 kB
scripts from other repo
over 1 year ago
