add debug

app.py

@@ -181,11 +181,16 @@ def molecule(input_pdb, ligand_pdb):
     allowpaymentrequest="" frameborder="0" srcdoc='{x}'></iframe>"""
 
 
+import sys
+
+
 def esm(protein_path, out_file):
     esm_embedding_prep(out_file, protein_path)
     # create args object with defaults
     os.environ["HOME"] = "esm/model_weights"
-
+    print("calling ", sys.executable)
+    print("model weights", os.listdir("esm/model_weights"))
+    print("datadir", os.listdir("data"))
     subprocess.call(
         f"python esm/scripts/extract.py esm2_t33_650M_UR50D {out_file} data/esm2_output --repr_layers 33 --include per_tok",
         shell=True,

esm/scripts/extract.py

@@ -6,7 +6,8 @@
 
 import argparse
 import pathlib
-
+import sys 
+print("using", sys.executable)
 import torch
 
 from esm import Alphabet, FastaBatchedDataset, ProteinBertModel, pretrained, MSATransformer