Commit 52d824d5 authored by leswing's avatar leswing
Browse files

GOGO

parent 6d41ab8b
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Empty file added.

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@@ -96,7 +96,7 @@ def experiment(dataset_file, method='GraphConv', split='scaffold'):

#======================================================================
# Run Benchmarks {GC-DNN, SVR, RF}

def main():
  print("About to retrieve datasets")
  retrieve_datasets()

@@ -131,3 +131,6 @@ else:
    val_score = model.evaluate(val, [metric],
                               transformers)['mean-pearson_r2_score']
    print((MODEL, SPLIT, DATASET, train_score, val_score))

if __name__ == "__main__":
  main()
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@@ -2,3 +2,4 @@ model
MNIST_data
*.xml
*.png
.ipynb_checkpoints
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import os
import sys
import subprocess
import tempfile


def _example_run(path):
  """Checks that the example at the specified path runs corrently.

  Parameters
  ----------
  path: str
    Path to example file.
  Returns
  -------
  result: int 
    Return code. 0 for success, failure otherwise.
  """
  cmd = ["python", path]
  return subprocess.check_output(cmd)
from nose.tools import nottest


def test_adme():
  result, output = _example_run("./adme/run_benchmarks.py")
  print(output)
  assert result == 0
  sys.path.append(0, './adme')
  import run_benchmarks
  run_benchmarks.main()
  del run_benchmarks
  sys.path.remove('./adme')


if __name__ == "__main__":