update target values file for svr

DeepRank · Sep 6, 2024 · 55bd679 · 55bd679
1 parent b61662b
commit 55bd679
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/tests/perf/srv_perf.py b/tests/perf/srv_perf.py
@@ -88,7 +88,7 @@
 
 
 def get_pdb_files_and_target_data(data_path: str) -> tuple[list[str], list, list, list, list]:
-    csv_data = pd.read_csv(os.path.join(data_path, "srv_target_values.csv"))
+    csv_data = pd.read_csv(os.path.join(data_path, "srv_target_values_curated.csv"))
     # before running this script change .ent to .pdb
     pdb_files = glob.glob(os.path.join(data_path, "pdb", "*.pdb"))
     pdb_files.sort()

diff --git a/tutorials/data_generation_srv.ipynb b/tutorials/data_generation_srv.ipynb
@@ -114,7 +114,7 @@
    "metadata": {},
    "source": [
     "- Raw data are PDB files in `data_raw/srv/pdb/`, which contains atomic coordinates of the protein structure containing the variant.\n",
-    "- Target data, so in our case pathogenic versus benign labels, are in `data_raw/srv/srv_target_values.csv`.\n",
+    "- Target data, so in our case pathogenic versus benign labels, are in `data_raw/srv/srv_target_values_curated.csv`.\n",
     "- The final SRV processed data will be saved in `data_processed/srv/` folder, which in turns contains a folder for residue-level data and another one for atomic-level data. More details about such different levels will come a few cells below.\n"
    ]
   },
@@ -133,7 +133,7 @@
    "outputs": [],
    "source": [
     "def get_pdb_files_and_target_data(data_path):\n",
-    "    csv_data = pd.read_csv(os.path.join(data_path, \"srv_target_values.csv\"))\n",
+    "    csv_data = pd.read_csv(os.path.join(data_path, \"srv_target_values_curated.csv\"))\n",
     "    pdb_files = glob.glob(os.path.join(data_path, \"pdb\", \"*.ent\"))\n",
     "    pdb_files.sort()\n",
     "    pdb_file_names = [os.path.basename(pdb_file) for pdb_file in pdb_files]\n",