--- a +++ b/setup.py @@ -0,0 +1,26 @@ +from setuptools import setup + +setup( + name="ddc_pub", + version="0.3", + description="Neural network to encode/decode molecules.", + url="https://github.com/pcko1/Deep-Drug-Coder", + author="Panagiotis-Christos Kotsias", + author_email="kotsias.pan@gmail.com", + license="MIT", + packages=["ddc_pub"], + install_requires=[ + "numpy == 1.16.5", + "h5py == 2.9.0", + "tensorflow-gpu == 2.0.0", + "tqdm == 4.35.0", + "scikit-learn == 0.21.3", + "scipy == 1.3.1", + "ipykernel == 5.1.1", + "ipython", + "matplotlib == 3.1.1", + "pandas == 0.25.1", + "molsets == 0.2" + ], + zip_safe=False, +)