Shorten conformer calculation example Match the re-executed notebook cell: show only the top 5 lowest-energy conformers instead of all 100 generated. Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
Strip leftover pandas <style scoped> blocks from DataFrame outputs GitHub wiki's HTML sanitizer strips the <style> tag itself but leaves its raw CSS text visible on the page, since nbconvert's markdown exporter passes pandas' _repr_html_ output through verbatim. Remove the style blocks; the underlying dataframe <table> markup still renders fine on its own. Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
Add opaque white background to molecule SVGs The Chemaxon-rendered SVGs use transparent backgrounds with black strokes, making them nearly invisible on GitHub's dark theme. Insert a white background rect behind each drawing so they stay legible regardless of viewer theme. Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
Add example notebook pages and sidebar navigation Convert the 9 numbered example notebooks (jupyter/*/0X_*.ipynb) to Markdown wiki pages with embedded outputs, replace the placeholder Home page with the repository README content plus links to each example, and add a sidebar for navigation between pages. Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
Initial Home page