bioinf-jku / FCD

Fréchet ChemNet Distance: A quality measure for generative models for molecules
GNU Lesser General Public License v3.0
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Add package to PyPi #4

Closed avaucher closed 4 years ago

avaucher commented 5 years ago

fcd is a dependency to our package guacamol, which users can install from the PyPi repositories.

Pulling the fcd dependency from the GitHub repo works, but is a bit cumbersome since it often leads to errors and / or requires special flags when installing guacamol with pip.

It would be great if you could upload fcd on PyPi, in order for it to be installable directly with

pip install fcd

Here are the steps; it shouldn't take you more than ~10 minutes. A more complete tutorial can be found here.

  1. Register on https://pypi.org/
  2. Verify e-mail
  3. python3 -m pip install --upgrade setuptools wheel twine
  4. In the FCD project root: python3 setup.py sdist bdist_wheel
  5. twine upload dist/*

Let me know if I can help you in any way.