jannisborn commited on
Commit
a29f8e7
1 Parent(s): 45d9693
Files changed (1) hide show
  1. app.py +5 -3
app.py CHANGED
@@ -84,7 +84,10 @@ def regression_transformer(
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  )
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  model = RegressionTransformer(configuration=config, target=target)
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  samples = list(model.sample(number_of_samples))
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- if algorithm_version == "polymer" and task == "Generate":
 
 
 
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  correct_samples = [(s, p) for s, p in samples if "." in s]
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  while len(correct_samples) < number_of_samples:
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  samples = list(model.sample(number_of_samples))
@@ -96,8 +99,7 @@ def regression_transformer(
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  ]
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  )
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  samples = correct_samples
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- # if isinstance(config.generator.tokenizer.text_tokenizer, PolymerGraphTokenizer):
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- # pass
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  if task == "Predict":
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  return draw_grid_predict(samples[0], target, domain=algorithm.split(":")[0])
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  else:
 
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  )
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  model = RegressionTransformer(configuration=config, target=target)
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  samples = list(model.sample(number_of_samples))
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+ polymer = isinstance(
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+ config.generator.tokenizer.text_tokenizer, PolymerGraphTokenizer
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+ )
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+ if algorithm_version == "rop_catalyst" and task == "Generate":
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  correct_samples = [(s, p) for s, p in samples if "." in s]
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  while len(correct_samples) < number_of_samples:
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  samples = list(model.sample(number_of_samples))
 
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  ]
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  )
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  samples = correct_samples
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+
 
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  if task == "Predict":
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  return draw_grid_predict(samples[0], target, domain=algorithm.split(":")[0])
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  else: