diff --git a/setup.py b/setup.py
new file mode 100644
index 0000000..df6b913
--- /dev/null
+++ b/setup.py
@@ -0,0 +1,32 @@
+import io
+import os
+import re
+
+from setuptools import setup, find_packages
+
+# Get the version from src/huggingmolecules/__init__.py
+# Adapted from https://stackoverflow.com/a/39671214
+this_directory = os.path.dirname(os.path.realpath(__file__))
+init_path = os.path.join(this_directory, 'src', 'huggingmolecules', '__init__.py')
+version_matches = re.search(
+    r'__version__\s*=\s*[\'"]([^\'"]*)[\'"]',
+    io.open(init_path, encoding='utf_8_sig').read(),
+)
+if version_matches is None:
+    raise Exception('Could not determine huggingmolecules version from __init__.py')
+__version__ = version_matches.group(1)
+
+setup(
+    name='huggingmolecules',
+    version=__version__,
+    packages=find_packages('src', include=['huggingmolecules*']),
+    package_dir={'':'src'},
+    install_requires=[
+        'torch>=1.7.0',
+        'scikit-learn>=0.23.2',
+        'filelock>=3.0.12',
+        'gdown>=3.12.2',
+        'rdkit',
+        'setuptools',
+    ]
+)