old_contents: import io
  import re
  from os import path
  
  from setuptools import setup
  
  # Get the version from guacamol/__init__.py
  # Adapted from https://stackoverflow.com/a/39671214
  __version__ = re.search(r'__version__\s*=\s*[\'"]([^\'"]*)[\'"]',
                          io.open('guacamol/__init__.py', encoding='utf_8_sig').read()
                          ).group(1)
  
  this_directory = path.abspath(path.dirname(__file__))
  with open(path.join(this_directory, 'README.md'), encoding='utf-8') as f:
      long_description = f.read()
  
  setup(name='guacamol',
        version=__version__,
        author='BenevolentAI',
        author_email='guacamol@benevolent.ai',
        description='Guacamol: benchmarks for de novo molecular design',
        long_description=long_description,
        long_description_content_type='text/markdown',
        url='https://github.com/BenevolentAI/guacamol',
        packages=['guacamol', 'guacamol.data', 'guacamol.utils'],
        license='MIT',
        install_requires=[
            'joblib>=0.12.5',
            'numpy>=1.15.2',
            'scipy>=1.1.0',
            'tqdm>=4.26.0',
            'FCD==1.1',
            # FCD doesn't pin dependencies, so we have to
            'tensorflow==1.8',
            'Keras==2.1.0',
            'h5py==2.10.0',
            'flake8>=3.5.0',
            'mypy>=0.630',
            'pytest>=3.8.2'
        ],
        python_requires='>=3.6',
        extras_require={
            'rdkit': ['rdkit>=2018.09.1.0'],
        },
        include_package_data=True,
        zip_safe=False,
        )
  
new_contents: import io
  import re
  from os import path
  
  from setuptools import setup
  
  # Get the version from guacamol/__init__.py
  # Adapted from https://stackoverflow.com/a/39671214
  __version__ = re.search(r'__version__\s*=\s*[\'"]([^\'"]*)[\'"]',
                          io.open('guacamol/__init__.py', encoding='utf_8_sig').read()
                          ).group(1)
  
  this_directory = path.abspath(path.dirname(__file__))
  with open(path.join(this_directory, 'README.md'), encoding='utf-8') as f:
      long_description = f.read()
  
  setup(name='guacamol',
        version=__version__,
        author='BenevolentAI',
        author_email='guacamol@benevolent.ai',
        description='Guacamol: benchmarks for de novo molecular design',
        long_description=long_description,
        long_description_content_type='text/markdown',
        url='https://github.com/BenevolentAI/guacamol',
        packages=['guacamol', 'guacamol.data', 'guacamol.utils'],
        license='MIT',
        install_requires=[
            'joblib>=0.12.5',
            'numpy>=1.15.2',
            'scipy>=1.1.0',
            'tqdm>=4.26.0',
            'FCD==1.1',
            # FCD doesn't pin dependencies, so we have to
            'tensorflow==1.8',
            'Keras==2.1.0',
            'h5py==2.10.0',
        ],
        python_requires='>=3.6',
        extras_require={
            'rdkit': ['rdkit>=2018.09.1.0'],
        },
        include_package_data=True,
        zip_safe=False,
        )
  
subject: remove unnecessary dependencies from setup.py