molecular-viz

Installation
SKILL.md

Molecular Visualization

Generate 3D protein-ligand visualizations using the build_viewer.py script. The script handles the full pipeline:

  1. Drug SMILES -- looked up automatically from PubChem
  2. Protein target -- resolved from a built-in drug-target table (or pass --sequence manually)
  3. Structure prediction -- protein + drug sent to OpenFold3 NIM for co-structure prediction
  4. 3D viewer -- self-contained HTML with jQuery + 3Dmol.js inlined, saved to canvas

Usage

Simplest form (target auto-resolved):

python /sandbox/clinical-intelligence/scripts/build_viewer.py --drug metformin
Installs
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First Seen
Jul 3, 2026
molecular-viz — nvidia/dgx-spark-playbooks