emmas96 commited on
Commit
f398b03
·
1 Parent(s): c9956cd

change to internal default CDDD model

Browse files
Files changed (1) hide show
  1. app.py +3 -6
app.py CHANGED
@@ -62,11 +62,8 @@ def display_dti():
62
  )
63
  if selected_encoder == 'CDDD':
64
  from cddd.inference import InferenceModel
65
- from huggingface_hub import hf_hub_download
66
- CDDD_MODEL_DIR = 'encoders/cddd'
67
- REPO_ID = "emmas96/hyperpcm"
68
- checkpoint_path = hf_hub_download(REPO_ID, CDDD_MODEL_DIR)
69
- cddd_model = InferenceModel(checkpoint_path)
70
  embedding = cddd_model.seq_to_emb([smiles])
71
  elif selected_encoder == 'MolBERT':
72
  from molbert.utils.featurizer.molbert_featurizer import MolBertFeaturizer
@@ -122,7 +119,7 @@ def display_dti():
122
  st.write(embedding)
123
 
124
 
125
- #def display_protein():
126
  """
127
  sequence = st.text_input("Enter the amino-acid sequence of the query protein target", value="HXHVWPVQDAKARFSEFLDACITEGPQIVSRRGAEEAVLVPIGEWRRLQAAA", placeholder="HXHVWPVQDAKARFSEFLDACITEGPQIVSRRGAEEAVLVPIGEWRRLQAAA")
128
 
 
62
  )
63
  if selected_encoder == 'CDDD':
64
  from cddd.inference import InferenceModel
65
+ CDDD_MODEL_DIR = 'src/encoders/cddd'
66
+ cddd_model = InferenceModel(CDDD_MODEL_DIR)
 
 
 
67
  embedding = cddd_model.seq_to_emb([smiles])
68
  elif selected_encoder == 'MolBERT':
69
  from molbert.utils.featurizer.molbert_featurizer import MolBertFeaturizer
 
119
  st.write(embedding)
120
 
121
 
122
+ def display_protein():
123
  """
124
  sequence = st.text_input("Enter the amino-acid sequence of the query protein target", value="HXHVWPVQDAKARFSEFLDACITEGPQIVSRRGAEEAVLVPIGEWRRLQAAA", placeholder="HXHVWPVQDAKARFSEFLDACITEGPQIVSRRGAEEAVLVPIGEWRRLQAAA")
125