Add interactive molecule explorer with visual property analysis and 3D viewer 53f3a69 Nanny7 commited on Nov 8, 2025
Add property calculator, molecular clustering, and scaffold analysis features 4eda0f0 Nanny7 commited on Nov 8, 2025
Embed interactive 3D orbital viewer directly in app using iframe 71f8c18 Nanny7 commited on Nov 8, 2025
Add downloadable interactive 3D HTML files for orbital visualization 6394787 Nanny7 commited on Nov 8, 2025
Use matplotlib with 4 viewing angles for reliable orbital visualization 860c7cd Nanny7 commited on Nov 8, 2025
Use py3Dmol's built-in HTML generation for orbital visualization ec4b0c3 Nanny7 commited on Nov 8, 2025
Replace Plotly with Matplotlib for reliable orbital visualization rendering 2780791 Nanny7 commited on Nov 8, 2025
Switch from Volume to Isosurface for better orbital visualization rendering 6b65aed Nanny7 commited on Nov 8, 2025
Improve plotly visualization sizing and rendering with CDN and proper styling a0082eb Nanny7 commited on Nov 8, 2025
Add SCF convergence check and improve cube file parsing robustness 3d4922f Nanny7 commited on Nov 8, 2025
Replace py3Dmol with plotly for molecular orbital visualization ac0d410 Nanny7 commited on Nov 8, 2025
Replace Psi4/psikit with PySCF for molecular orbital calculations on HF Spaces 47fd570 Nanny7 commited on Nov 8, 2025
Remove psi4 from requirements as it's not available on HF Spaces afd1cc9 Nanny7 commited on Nov 8, 2025
Add psikit, psi4, py3Dmol to requirements and update force_rebuild db1a0e9 Nanny7 commited on Nov 8, 2025
