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Revert "Update model.py"
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This reverts commit 14ed2f5.
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pstjohn committed Jul 25, 2022
1 parent 14ed2f5 commit 8ecbe4b
Showing 1 changed file with 1 addition and 3 deletions.
4 changes: 1 addition & 3 deletions alfabet/model.py
Original file line number Diff line number Diff line change
Expand Up @@ -64,9 +64,7 @@ def predict(smiles_list, drop_duplicates=True, batch_size=1):
tf.data.experimental.AUTOTUNE
)

results = model.predict(batched_dataset)
bdes = results[:, 0]
bdfes = results[:, 1]
bdes, bdfes = model.predict(batched_dataset)

bde_df = (
pd.DataFrame(bdes.squeeze(axis=-1), index=smiles_list)
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