chemistry-skills

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	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