uv-vis-spectrum-simulation

Installation
SKILL.md

UV-Vis Spectrum Simulation Skill

When to use this

Use this skill when the user provides SMILES and wants:

  • Predicted UV-Vis spectrum (400-700 nm)
  • Publication-ready PNG plot
  • No manual website steps — script fetches from UV-adVISor automatically

Inputs

  • SMILES string (e.g. CCO for ethanol)
  • Or CSV file path (if previously exported)

Outputs

  • /tmp/chemclaw/uv_vis_spectrum.png — spectrum plot

New environment (from zero)

  • 仅需 Python 3.8+(建议 3.10–3.12),无需额外 pip 套件。
  • 需可连外网(脚本会 POST 到 UV-adVISor)。
Related skills
Installs
10
GitHub Stars
46
First Seen
Mar 30, 2026