chemistry-skills
9 chemistry skills. Trigger: chemical structure analysis, reaction prediction, molecular modeling. Design: computational chemistry tools and cheminformatics workflows.
Best use case
chemistry-skills is best used when you need a repeatable AI agent workflow instead of a one-off prompt.
9 chemistry skills. Trigger: chemical structure analysis, reaction prediction, molecular modeling. Design: computational chemistry tools and cheminformatics workflows.
Teams using chemistry-skills should expect a more consistent output, faster repeated execution, less prompt rewriting.
When to use this skill
- You want a reusable workflow that can be run more than once with consistent structure.
When not to use this skill
- You only need a quick one-off answer and do not need a reusable workflow.
- You cannot install or maintain the underlying files, dependencies, or repository context.
Installation
Claude Code / Cursor / Codex
Manual Installation
- Download SKILL.md from GitHub
- Place it in
.claude/skills/chemistry/SKILL.mdinside your project - Restart your AI agent — it will auto-discover the skill
How chemistry-skills Compares
| Feature / Agent | chemistry-skills | Standard Approach |
|---|---|---|
| Platform Support | Not specified | Limited / Varies |
| Context Awareness | High | Baseline |
| Installation Complexity | Unknown | N/A |
Frequently Asked Questions
What does this skill do?
9 chemistry skills. Trigger: chemical structure analysis, reaction prediction, molecular modeling. Design: computational chemistry tools and cheminformatics workflows.
Where can I find the source code?
You can find the source code on GitHub using the link provided at the top of the page.
SKILL.md Source
# Chemistry — 9 Skills Select the skill matching the user's need, then `read` its SKILL.md. | Skill | Description | |-------|-------------| | [cactus-cheminformatics-guide](./cactus-cheminformatics-guide/SKILL.md) | PNNL cheminformatics LLM agent for molecular analysis | | [catalysis-hub-api](./catalysis-hub-api/SKILL.md) | Query computational catalysis reaction data via Catalysis Hub GraphQL | | [chemeagle-guide](./chemeagle-guide/SKILL.md) | Multi-agent system for chemical literature information extraction | | [chemgraph-agent-guide](./chemgraph-agent-guide/SKILL.md) | Automate molecular simulations with the ChemGraph agentic framework | | [computational-chemistry-guide](./computational-chemistry-guide/SKILL.md) | DFT, molecular simulation, and reaction prediction tools for chemists | | [molecular-dynamics-guide](./molecular-dynamics-guide/SKILL.md) | Molecular dynamics simulation setup, execution, and trajectory analysis | | [pubchem-api-guide](./pubchem-api-guide/SKILL.md) | Search PubChem for chemical compounds, structures, and bioassay data | | [retrosynthesis-guide](./retrosynthesis-guide/SKILL.md) | Retrosynthetic analysis and computational reaction prediction | | [spectroscopy-analysis-guide](./spectroscopy-analysis-guide/SKILL.md) | Spectral data analysis for NMR, IR, mass spectrometry, and UV-Vis |
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