9 chemistry skills. Trigger: chemical structure analysis, reaction prediction, molecular modeling. Design: computational chemistry tools and cheminformatics workflows.
Select the skill matching the user's need, then read its SKILL.md.
| Skill | Description |
|---|---|
| cactus-cheminformatics-guide | PNNL cheminformatics LLM agent for molecular analysis |
| catalysis-hub-api | Query computational catalysis reaction data via Catalysis Hub GraphQL |
| chemeagle-guide | Multi-agent system for chemical literature information extraction |
| chemgraph-agent-guide |
| Automate molecular simulations with the ChemGraph agentic framework |
| computational-chemistry-guide | DFT, molecular simulation, and reaction prediction tools for chemists |
| molecular-dynamics-guide | Molecular dynamics simulation setup, execution, and trajectory analysis |
| pubchem-api-guide | Search PubChem for chemical compounds, structures, and bioassay data |
| retrosynthesis-guide | Retrosynthetic analysis and computational reaction prediction |
| spectroscopy-analysis-guide | Spectral data analysis for NMR, IR, mass spectrometry, and UV-Vis |