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Add interactive 3D molecule structures to the workbench - #79

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interactive-3d-structures
Jul 3, 2026
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rvnminers-A-and-N merged 1 commit into
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interactive-3d-structures

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New /api/structure3d returns an RDKit-embedded 3D conformer (ETKDG + MMFF) as an SDF mol block; the workbench renders it interactively with 3Dmol.js (vendored, BSD-3-Clause, served locally — no CDN dependency, works air-gapped, consistent with the on-prem model).

A 2D/3D toggle sits above the structure: 2D stays default, 3D shows a rotatable ball-and-stick model to spin/zoom. Toggle appears only when a 3D embed succeeds; degrades cleanly otherwise. Cited in docs/SOURCES.md + training/static/README.md.

New /api/structure3d returns an RDKit-embedded 3D conformer (ETKDG + MMFF) as an
SDF mol block; the workbench renders it interactively with 3Dmol.js (vendored,
BSD-3-Clause, served locally so the demo stays self-contained — no CDN dependency,
works air-gapped, consistent with the on-prem model). A 2D/3D toggle sits above the
structure; 2D stays default, 3D shows a rotatable ball-and-stick model to spin/zoom.
Toggle appears only when a 3D embed succeeds; degrades cleanly otherwise. Cited in
docs/SOURCES.md + training/static/README.md.

Signed-off-by: Austin L. <86896075+rvnminers-A-and-N@users.noreply.github.com>
@rvnminers-A-and-N
rvnminers-A-and-N merged commit 319f49f into main Jul 3, 2026
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@rvnminers-A-and-N
rvnminers-A-and-N deleted the interactive-3d-structures branch July 3, 2026 00:06
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