Uv Vis Spectrum Simulation
UV-Vis spectrum from SMILES via UV-adVISor (https://spectra.collaborationspharma.com/). Input SMILES, auto-fetch, plot PNG.
Install
$ agentstack add skill-internscience-chemclaw-uv-vis-spectrum-simulation ✓ scanned · ✓ verified, works with Claude Code, Cursor, and more.
Security review
✓ PassedNo issues found. Passed automated security review. · v0.1.0 How review works →
- ✓ Prompt-injection patterns
- ✓ Secret / credential exfiltration
- ✓ Dangerous shell & filesystem operations
- ✓ Untrusted network calls
- ✓ Known-malicious package signatures
What it can access
- ● Network access Used
- ✓ Filesystem access No
- ✓ Shell / process execution No
- ✓ Environment & secrets No
- ✓ Dynamic code execution No
From automated source analysis of v0.1.0. “Used” means the capability is present in the source — more access means more to trust, not that it’s unsafe.
Verified badge
Passed review? Show it. Paste this badge into your README, it links to the public security report.
Links to your public security report.[](https://agentstack.voostack.com/security/report/skill-internscience-chemclaw-uv-vis-spectrum-simulation) Reliability & compatibility
Declared compatibility
Compatibility is declared by the source manifest. End-to-end runtime verification is coming, see below.
We're building live execution health for every listing: tool-call success rate, median latency, uptime, and last-checked timestamps, measured, not self-reported. It isn't live yet, so we don't show numbers we can't stand behind.
How agent discovery & health will work →About
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）。
- 脚本目前预设即停用 SSL 凭证验证，以避免 macOS / Python 组合下的
CERTIFICATE_VERIFY_FAILED。
cd uv-vis-spectrum-simulation
python uv_vis_spectrum_simulation.py CCOHow to use
cd uv-vis-spectrum-simulation
python uv_vis_spectrum_simulation.py CCO
python uv_vis_spectrum_simulation.py "c1ccc2ccccc2c1" # naphthalene
python uv_vis_spectrum_simulation.py path/to.csv # or from CSVOptional
cd uv-vis-spectrum-simulation
python uv_vis_spectrum_simulation.py CCO --output /tmp/chemclaw/ethanol_uv.pngDependencies
- None（仅标准库：urllib, re, base64）
Notes
- UV-adVISor: ML model at spectra.collaborationspharma.com
- Script POSTs SMILES → "Plot graph online" → extracts PNG from HTML → saves
- Requires network connection
- 脚本预设使用 insecure SSL context，以绕过本机
CERTIFICATE_VERIFY_FAILED问题。
Source & license
This open-source skill is cataloged on AgentStack and links to its original source — we do not rehost the code.
- Author: InternScience
- Source: InternScience/ChemClaw
- License: MIT
Install and usage instructions live in the source repository linked above.
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Versions
- v0.1.0 Imported from the upstream source.