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Pocket-Gen / utils

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dcacefd 6 months ago

__pycache__
1 6 months ago
datasets
1 6 months ago
evaluation
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filter
1 6 months ago
__init__.py

162 Bytes

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chem.py

3.5 kB

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chemutils.py

23 kB

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data.py

10.3 kB

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docking.py

5.79 kB

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example.pdb

51.7 kB

1 6 months ago
fpscores.pkl.gz

3.85 MB
xet

1 6 months ago
io.py

4.35 kB

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misc.py

1.97 kB

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parse.py

570 Bytes

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pdb_utils.py

13.2 kB

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preprocess.py

1.53 kB

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process.py

792 Bytes

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process_bindingmoad.py

25.5 kB

1 6 months ago
protein_ligand.py

15 kB

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reconstruct.py

18.6 kB

1 6 months ago
relax.py

3.54 kB

1 6 months ago
rmsd.py

6.1 kB

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sascorer.py

5.12 kB

1 6 months ago
similarity.py

456 Bytes

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train.py

3.17 kB

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transforms.py

17.5 kB

1 6 months ago
warmup.py

4.21 kB

1 6 months ago