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fix typo virtual screen #263

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fix typo virtual screen #263

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3 changes: 1 addition & 2 deletions proteinshake/tasks/virtual_screen.py
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Original file line number Diff line number Diff line change
@@ -1,5 +1,4 @@
import numpy as np
from sklearn.model_selection import train_test_split

from proteinshake.datasets import ProteinLigandDecoysDataset
from proteinshake.tasks import Task
Expand All @@ -13,7 +12,7 @@ class VirtualScreenTask(Task):
that the protein and ligand will bind. This can be a docking score, energy calculation,
or just a probability.
Each protein's ligand library contains a certain number of active molecules (ligands)
and a certai (larger) number of decoys (non-binders).
and a certain (larger) number of decoys (non-binders).
We use the predicted scores to sort the whole library and calculate the position of each
active ligand in the sorted library.
Ligands in the topi percentiles which are known to be active contribute a 1 to the score
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