Merge branch 'reinvent.3.0'

Author: patronov

.idea/ReinventCommunity.iml

@@ -380,8 +380,8 @@
    "outputs": [],
    "source": [
     "configuration[\"parameters\"][\"reinforcement_learning\"] = {\n",
-    "    \"prior\": os.path.join(reinvent_dir, \"data/augmented.prior\"),\n",
-    "    \"agent\": os.path.join(reinvent_dir, \"data/augmented.prior\"),\n",
+    "    \"prior\": os.path.join(ipynb_path, \"models/augmented.prior\"),\n",
+    "    \"agent\": os.path.join(ipynb_path, \"models/augmented.prior\"),\n",
     "    \"n_steps\": 300,\n",
     "    \"sigma\": 128,\n",
     "    \"learning_rate\": 0.0001,\n",

.idea/inspectionProfiles/profiles_settings.xml

@@ -106,7 +106,7 @@
     "# provide your input dataset that will be used for training \n",
     "#we use a purged dataset provided with this repo\n",
     "\n",
-    "input_SMILES_path = os.path.join(reinvent_dir, \"data/chembl.filtered.smi\") \n",
+    "input_SMILES_path = os.path.join(ipynb_path, \"data/chembl.filtered.smi\") \n",
     "output_model_path = os.path.join(output_dir, \"empty_model.ckpt\")\n",
     "\n",
     "# add the \"parameters\" block\n",