Update src/streamlit_app.py

src/streamlit_app.py

@@ -14,13 +14,23 @@ from mace.calculators import mace_mp
 from fairchem.core import pretrained_mlip, FAIRChemCalculator
 from orb_models.forcefield import pretrained
 from orb_models.forcefield.calculator import ORBCalculator
-#from mattersim.forcefield import MatterSimCalculator
 import pandas as pd
 import yaml # Added for FairChem reference energies
 import subprocess
 import sys
 import pkg_resources
 
+try:
+    subprocess.check_call([sys.executable, "-m", "pip", "install", "mattersim"])
+except Exception as e:
+    print(f"Error during installation of mattersim: {e}")
+
+try:
+    from mattersim.forcefield import MatterSimCalculator
+    mattersim_available = True
+except ImportError as e:
+    print(f"Failed to import MatterSimCalculator: {e}")
+    mattersim_available = False
 # Define version threshold
 required_version = "2.0.0"
 
@@ -35,6 +45,7 @@ except pkg_resources.DistributionNotFound:
     print("numpy is not installed. Installing numpy<2.0.0...")
     subprocess.check_call([sys.executable, "-m", "pip", "install", "numpy<2.0.0"])
 
+
 from huggingface_hub import login
 
 # try:
@@ -777,7 +788,10 @@ if atoms is not None:
 
 
 st.sidebar.markdown("## Model Selection")
-model_type = st.sidebar.radio("Select Model Type:", ["MACE", "FairChem", "ORB"])
+if mattersim_available:
+    model_type = st.sidebar.radio("Select Model Type:", ["MACE", "FairChem", "ORB", "MatterSim"])
+else:
+    model_type = st.sidebar.radio("Select Model Type:", ["MACE", "FairChem", "ORB"])
 
 selected_task_type = None # For FairChem UMA
 if model_type == "MACE":