Adding a pip install?

.gitignore

@@ -93,3 +93,7 @@ Local
 
 # .DS_Store
 .DS_Store
+
+# Pycharm
+.idea/*
+.idea

MANIFEST.in

@@ -0,0 +1,4 @@
+include LICENSE *.txt
+recursive-include cgcnn *
+recursive-include data *
+recursive-include pre-trained *

setup.py

@@ -0,0 +1,34 @@
+#!/usr/bin/env python
+
+import os
+
+from setuptools import setup, find_packages
+
+module_dir = os.path.dirname(os.path.abspath(__file__))
+
+if __name__ == "__main__":
+    setup(
+        name='cgcnn',
+        version='0.1.0',
+        description='Crystal Graph Convolutional Neural Networks',
+        long_description=open(os.path.join(module_dir, 'README.md')).read(),
+        url='https://github.com/txie-93/cgcnn',
+        author='Tian Xie',
+        author_email='txie@mit.edu',
+        license='modified BSD',
+        packages=find_packages(),
+        include_package_data=True,
+        package_data={'cgcnn.pre-trained': ['*'],
+                      'cgcnn.data.sample-classification': ["*"],
+                      'cgcnn.data.sample-regression': ["*"]},
+        zip_safe=False,
+        install_requires=['tensorflow', 'torch==0.4.1', 'torchvision'],
+        classifiers=['Programming Language :: Python :: 3.6',
+                     'Development Status :: 4 - Beta',
+                     'Intended Audience :: Science/Research',
+                     'Intended Audience :: System Administrators',
+                     'Intended Audience :: Information Technology',
+                     'Operating System :: OS Independent',
+                     'Topic :: Other/Nonlisted Topic',
+                     'Topic :: Scientific/Engineering'],
+    )