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Sonja Topf commited on
Commit
a78b381
·
1 Parent(s): ec6833b

new model

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Files changed (2) hide show
  1. assets/best_gin_model.pt +2 -2
  2. predict.py +1 -1
assets/best_gin_model.pt CHANGED
@@ -1,3 +1,3 @@
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  version https://git-lfs.github.com/spec/v1
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- oid sha256:6e49790b36de8674646c3c3eb6b35818f9d7319a61dbc0a483c13c2f78bcb210
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- size 634178
 
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  version https://git-lfs.github.com/spec/v1
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+ oid sha256:ae536ad4a4c51b097a6411bb4ad68ebcc49ab70d570d2f38a8917f42efc768f0
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+ size 631874
predict.py CHANGED
@@ -16,7 +16,7 @@ def predict(smiles_list):
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  Returns:
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  dict: {smiles: {target_name: prediction_prob}}
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  """
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- set_seed(42)
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  # tox21 targets
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  TARGET_NAMES = [
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  "NR-AR",
 
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  Returns:
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  dict: {smiles: {target_name: prediction_prob}}
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  """
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+ set_seed(0)
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  # tox21 targets
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  TARGET_NAMES = [
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  "NR-AR",