show tech stack and sys info

src/streamlit_app.py

@@ -1597,5 +1597,86 @@ with st.expander('ℹ️ About This App & Foundational MLIPs'):
     - For **MACE models**, isolated atom energies are computed on-the-fly.
     - For **FairChem models**, isolated atom energies are based on pre-tabulated reference values (provided in a YAML-like structure within the app). Ensure the selected FairChem task type (`omol`, `omat`, etc. for UMA models) or model type (ESEN models use `omol` references) aligns with the system and has the necessary elemental references.
     """)
+
+with st.expander('🔧 Tech Stack & System Information'):
+    import platform
+    import psutil
+    
+    st.markdown("### System Information")
+    
+    col1, col2 = st.columns(2)
+    
+    with col1:
+        st.write("**Operating System:**")
+        st.write(f"- OS: {platform.system()} {platform.release()}")
+        st.write(f"- Version: {platform.version()}")
+        st.write(f"- Architecture: {platform.machine()}")
+        st.write(f"- Processor: {platform.processor()}")
+        
+        st.write("\n**Python Environment:**")
+        st.write(f"- Python Version: {platform.python_version()}")
+        st.write(f"- Python Implementation: {platform.python_implementation()}")
+    
+    with col2:
+        st.write("**Hardware Resources:**")
+        st.write(f"- CPU Cores: {psutil.cpu_count(logical=False)} physical, {psutil.cpu_count(logical=True)} logical")
+        st.write(f"- CPU Usage: {psutil.cpu_percent(interval=1)}%")
+        
+        memory = psutil.virtual_memory()
+        st.write(f"- Total RAM: {memory.total / (1024**3):.2f} GB")
+        st.write(f"- Available RAM: {memory.available / (1024**3):.2f} GB")
+        st.write(f"- RAM Usage: {memory.percent}%")
+        
+        disk = psutil.disk_usage('/')
+        st.write(f"- Total Disk Space: {disk.total / (1024**3):.2f} GB")
+        st.write(f"- Free Disk Space: {disk.free / (1024**3):.2f} GB")
+        st.write(f"- Disk Usage: {disk.percent}%")
+    
+    st.markdown("### Package Versions")
+    
+    packages_to_check = [
+        'streamlit', 'torch', 'numpy', 'ase', 'py3Dmol', 
+        'mace-torch', 'fairchem-core', 'orb-models', 'sevenn',
+        'pandas', 'matplotlib', 'scipy', 'yaml', 'huggingface-hub'
+    ]
+    
+    if mattersim_available:
+        packages_to_check.append('mattersim')
+    
+    package_versions = {}
+    for package in packages_to_check:
+        try:
+            version = pkg_resources.get_distribution(package).version
+            package_versions[package] = version
+        except pkg_resources.DistributionNotFound:
+            package_versions[package] = "Not installed"
+    
+    # Display in two columns
+    col1, col2 = st.columns(2)
+    items = list(package_versions.items())
+    mid_point = len(items) // 2
+    
+    with col1:
+        for package, version in items[:mid_point]:
+            st.write(f"**{package}:** {version}")
+    
+    with col2:
+        for package, version in items[mid_point:]:
+            st.write(f"**{package}:** {version}")
+    
+    # PyTorch specific information
+    st.markdown("### PyTorch Configuration")
+    st.write(f"**PyTorch Version:** {torch.__version__}")
+    st.write(f"**CUDA Available:** {torch.cuda.is_available()}")
+    if torch.cuda.is_available():
+        st.write(f"**CUDA Version:** {torch.version.cuda}")
+        st.write(f"**cuDNN Version:** {torch.backends.cudnn.version()}")
+        st.write(f"**Number of GPUs:** {torch.cuda.device_count()}")
+        for i in range(torch.cuda.device_count()):
+            st.write(f"**GPU {i}:** {torch.cuda.get_device_name(i)}")
+    else:
+        st.write("Running on CPU only")
+
+st.markdown("---")
 st.markdown("Universal MLIP Playground App | Created with Streamlit, ASE, MACE, FairChem, SevenNet, ORB and ❤️")
 st.markdown("Developed by [Manas Sharma](https://manas.bragitoff.com/) in the groups of [Prof. Ananth Govind Rajan Group](https://www.agrgroup.org/) and [Prof. Sudeep Punnathanam](https://chemeng.iisc.ac.in/sudeep/) at  [IISc Bangalore](https://iisc.ac.in/)")