--- a
+++ b/environment.yml
@@ -0,0 +1,13 @@
+channels:
+- openbabel
+- rdkit
+dependencies:
+- numpydoc
+- six
+- numpy>=1.8
+- scipy>=0.14
+- scikit-learn>=0.18
+- joblib>=0.8
+- pandas>=0.17.1
+- rdkit
+- openbabel