Individual skill
chemistry-pro
Practical computational and experimental chemistry workflows — cheminformatics, quantum chemistry, kinetics, and analytical methods.
skills/chemistry-pro/SKILL.md
Source commit faf37c0859ebf627bfcb5225e8057d088691e0ae
What was checked
- Matches the observed repository HEAD
- Yes
- Scanner rules are current
- No
- Repository scan complete
- No
- Skill scan complete
- No
- Observed behavior
- Not checked yet
- Last checked
- Nov 8, 2026
These are observations at the recorded commit, not a guarantee of safety. Review the source before running it.
Install this skill
Choose an agent in your Stack or copy a command below. Commands fetch the pinned commit and copy only this skill directory. Existing destinations are refused. Copying a command does not install anything.
An install command is unavailable: current rules, complete repository and skill scans, an eligible behavior level and a permitted license are required.
Repository context
- Repository stars (not skill ratings)
- 54
- Repository last updated
- Oct 10, 2026
- License
- MIT
Observed agent integration: No specific integration evidence. Standard SKILL.md installation does not imply verified compatibility.
- agent-skills Repository topic
- ai-agents Repository topic
- ai-agents-automation Repository topic
- ai-skills Repository topic
- awesome Repository topic
- awesome-list Repository topic
- chatgpt Repository topic
- claude-skills Repository topic
- meta-ai Repository topic
- muse-ai Repository topic
- engineering Derived category
Files and excerpt
File metadata and permitted, redacted excerpts come from the recorded scan. Source links are pinned to that commit.
Read excerpt
## Overview
Chemistry-pro is a working toolkit for practicing chemists: computational
predictions (quantum chemistry, cheminformatics), experimental design
(reaction optimization, kinetics), and analytical characterization (NMR,
MS, IR, chromatography). It bridges what you compute and what you measure,
with concrete tool choices and validation steps at each stage.
## When to use
- Planning a synthesis: predict properties, check reaction feasibility, design the optimization screen
- Running calculations: DFT geometry optimizations, transition states, NMR shifts, conformer searches
- Designing experiments: DoE for reaction conditions, kinetic experiments, catalyst screening
- Characterizing compounds: assigning spectra, validating purity, interpreting mass spec fragments