Add property calculator, molecular clustering, and scaffold analysis features 4eda0f0 Nanny7 commited on Nov 8, 2025
Replace Plotly with Matplotlib for reliable orbital visualization rendering 2780791 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
