ManasSharma07 commited on
Commit
dc3ff55
·
verified ·
1 Parent(s): af375ed

Update src/streamlit_app.py

Browse files
Files changed (1) hide show
  1. src/streamlit_app.py +2 -2
src/streamlit_app.py CHANGED
@@ -70,7 +70,7 @@ st.set_page_config(
70
 
71
  # Title and description
72
  st.markdown('## MLIP Playground', unsafe_allow_html=True)
73
- st.write('#### Run atomistic simulations with state-of-the-art universal machine learning interatomic potentials (MLIPs) for molecules and materials')
74
  st.markdown('Upload molecular structure files or select from predefined examples, then compute energies and forces using foundation models such as those from MACE or FairChem (Meta).', unsafe_allow_html=True)
75
 
76
  # Create a directory for sample structures if it doesn't exist
@@ -224,7 +224,7 @@ FAIRCHEM_MODELS = {
224
  "ESEN SM Direct All OMOL": "esen-sm-direct-all-omol"
225
  }
226
 
227
- #@st.cache_resource
228
  def get_mace_model(model_path, device, selected_default_dtype):
229
  # Create a model of the specified type.
230
  return mace_mp(model=model_path, device=device, default_dtype=selected_default_dtype)
 
70
 
71
  # Title and description
72
  st.markdown('## MLIP Playground', unsafe_allow_html=True)
73
+ st.write('#### Run atomistic simulations with >17 state-of-the-art universal machine learning interatomic potentials (MLIPs) for molecules and materials')
74
  st.markdown('Upload molecular structure files or select from predefined examples, then compute energies and forces using foundation models such as those from MACE or FairChem (Meta).', unsafe_allow_html=True)
75
 
76
  # Create a directory for sample structures if it doesn't exist
 
224
  "ESEN SM Direct All OMOL": "esen-sm-direct-all-omol"
225
  }
226
 
227
+ @st.cache_resource
228
  def get_mace_model(model_path, device, selected_default_dtype):
229
  # Create a model of the specified type.
230
  return mace_mp(model=model_path, device=device, default_dtype=selected_default_dtype)