chemistry-skills
Skill298 starsChanged 8 months agoMITView on GitHub
9 chemistry skills. Trigger: chemical structure analysis, reaction prediction, molecular modeling. Design: computational chemistry tools and cheminformatics workflows.
In this repository39 other files it gives its agents.
- dataviz-skillsSkill
- econometrics-skillsSkill
- statistics-skillsSkill
- wrangling-skillsSkill
- ai-ml-skillsSkill
- biomedical-skillsSkill
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- latex-skillsSkill
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The file
Files
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 |
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