--- a
+++ b/examples/IC50/conda.yml
@@ -0,0 +1,15 @@
+name: paccmann_predictor
+channels:
+ - https://conda.anaconda.org/rdkit
+dependencies:
+  - rdkit=2019.03.1
+  - python>=3.6,<3.8
+  - pip>=19.1
+  - pip:
+    - pytoda==1.0.0
+    - numpy>=1.14.3
+    - scipy>=1.3.1
+    - torch>=1.7.1
+    - tqdm
+    - pandas
+