chemistry-skills
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ChineseChemistry — 9 Skills
化学领域 — 9项技能
Select the skill matching the user's need, then its SKILL.md.
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 |
选择符合用户需求的技能，然后对应的SKILL.md文件。
read| 技能 | 描述 |
|---|---|
| cactus-cheminformatics-guide | 用于分子分析的PNNL cheminformatics LLM Agent |
| catalysis-hub-api | 通过Catalysis Hub GraphQL查询计算催化反应数据 |
| chemeagle-guide | 用于化学文献信息提取的多智能体系统 |
| chemgraph-agent-guide | 借助ChemGraph智能体框架实现分子模拟自动化 |
| computational-chemistry-guide | 面向化学家的DFT、分子模拟及反应预测工具 |
| molecular-dynamics-guide | 分子动力学模拟的搭建、执行及轨迹分析 |
| pubchem-api-guide | 在PubChem中搜索化合物、结构及生物测定数据 |
| retrosynthesis-guide | 逆合成分析与计算反应预测 |
| spectroscopy-analysis-guide | NMR、IR、质谱及UV-Vis的光谱数据分析 |