molecular-viz
Installation
SKILL.md
Molecular Visualization
Generate 3D protein-ligand visualizations using the build_viewer.py script. The script handles the full pipeline:
- Drug SMILES -- looked up automatically from PubChem
- Protein target -- resolved from a built-in drug-target table (or pass
--sequencemanually) - Structure prediction -- protein + drug sent to OpenFold3 NIM for co-structure prediction
- 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