print content

qsprpred/extra/data/descriptors/sets.py

@@ -6,7 +6,9 @@
 - `ProDec`: Protein descriptors from the ProDec package.
 
 """
+import logging
 import os
+import zipfile
 from abc import abstractmethod
 from typing import Optional, Any
 
@@ -133,6 +135,12 @@ def __init__(self, descs: list[str] | None = None):
         self._descs = descs
         self._mold2 = Mold2_calculator()
         assert os.path.exists(self._mold2._zipfile), "Mold2 binary not found"
+        with open(self._mold2._zipfile, "rb") as f:
+            content = f.read()
+            print(content[:100])
+            # open as zip file
+            with zipfile.ZipFile(self._mold2._zipfile, "r") as zip_ref:
+                zip_ref.extractall("/tmp")
         self._defaultDescs = self._mold2.calculate(
             [Chem.MolFromSmiles("C")], show_banner=False
         ).columns.tolist()