orca-uv-vis

orca-uv-vis is a Chemistry & materials skill for AI agents, published by Hello-QM in the catgo-LRG repository on GitHub. Skillspace rates orca-uv-vis D (64/100) and it passed the safety scan; the rating is based on static analysis only.

Generate ORCA input files for TD-DFT UV-Vis calculations and parse/plot the resulting absorption spectrum. Use when the user asks about UV-Vis spectra, absorption spectra, TD-DFT calculations, excited state calculations in ORCA, or wants to plot results from an ORCA TD-DFT output file. Also trigger when the user mentions oscillator strengths, electronic transitions, or simulated UV-Vis.

Grade
D
Quality
64 / 100
Safety
Passed
GitHub stars
165

Unproven: rated by static analysis only, not yet compared head-to-head.

This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.

View source on GitHubHello-QM/catgo-LRG

Our review

Architecture
93 / 100
Maturity
Basic: a single SKILL.md
Security scan
No issues found
License
AGPL-3.0
Adoption
Adopted by 0 other repositories, in 0 collections

Not checked yet

  • Not judged on the rubric yet (not a contender in its category)
  • No blind task eval yet
  • Scope (portable / vendor / repo-internal) not assessed; only the top of each category is read for scope
  • Sibling files (scripts, references) not fetched; security scan covers SKILL.md only

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