Awesome-Agent-Skills-for-Empirical-Research chemistry-skills
9 chemistry skills. Trigger: chemical structure analysis, reaction prediction, molecular modeling. Design: computational chemistry tools and cheminformatics workflows.
install
source · Clone the upstream repo
git clone https://github.com/brycewang-stanford/Awesome-Agent-Skills-for-Empirical-Research
Claude Code · Install into ~/.claude/skills/
T=$(mktemp -d) && git clone --depth=1 https://github.com/brycewang-stanford/Awesome-Agent-Skills-for-Empirical-Research "$T" && mkdir -p ~/.claude/skills && cp -r "$T/skills/43-wentorai-research-plugins/skills/domains/chemistry" ~/.claude/skills/brycewang-stanford-awesome-agent-skills-for-empirical-research-chemistry-skills && rm -rf "$T"
manifest:
skills/43-wentorai-research-plugins/skills/domains/chemistry/SKILL.mdsource content
Chemistry — 9 Skills
Select the skill matching the user's need, then
read| 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 |