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Pocket-Gen / utils /evaluation

4 MB

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History: 1 commit

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dcacefd 7 months ago

__pycache__
1 7 months ago
analyze.py

6.65 kB

1 7 months ago
atom_num.py

727 Bytes

1 7 months ago
atom_num_config.py

13.1 kB

1 7 months ago
docking_qvina.py

7.11 kB

1 7 months ago
docking_vina.py

10 kB

1 7 months ago
eval_atom_type.py

1.05 kB

1 7 months ago
eval_bond_length.py

5.14 kB

1 7 months ago
eval_bond_length_config.py

60.7 kB

1 7 months ago
fpscores.pkl.gz

3.85 MB
xet

1 7 months ago
sascorer.py

6.06 kB

1 7 months ago
scoring_func.py

4.17 kB

1 7 months ago
similarity.py

456 Bytes

1 7 months ago