chemistry-skills

Installation
SKILL.md

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
Related skills
Installs
2
GitHub Stars
211
First Seen
Mar 31, 2026