Chemistry

---
name: chemistry-skills
description: "9 chemistry skills. Trigger: chemical structure analysis, reaction prediction, molecular modeling. Design: computational chemistry tools and cheminformatics workflows."
---

# 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 |