jannisborn commited on
Commit
efe37fb
1 Parent(s): a7f1637
Files changed (2) hide show
  1. app.py +1 -0
  2. requirements.txt +1 -1
app.py CHANGED
@@ -94,6 +94,7 @@ def regression_transformer(
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  if "." in s and (s, p) not in correct_samples
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  ]
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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:
 
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  if "." in s and (s, p) not in correct_samples
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  ]
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  )
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+ samples = correct_samples
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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:
requirements.txt CHANGED
@@ -8,7 +8,7 @@ torch-sparse
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  torch-geometric
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  torchvision==0.13.1
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  torchaudio==0.12.1
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- gt4sd>=1.0.0
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  molgx>=0.22.0a1
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  molecule_generation
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  nglview
 
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  torch-geometric
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  torchvision==0.13.1
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  torchaudio==0.12.1
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+ gt4sd>=1.0.6
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  molgx>=0.22.0a1
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  molecule_generation
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  nglview