Individual skill
chemistry-skills
9 chemistry skills. Trigger: chemical structure analysis, reaction prediction, molecular modeling. Design: computational chemistry tools and cheminformatics workflows.
skills/domains/chemistry/SKILL.md
Source commit bf44b3cd617fa94c8a1b254c5d1987142ca3d631
What was checked
- Matches the observed repository HEAD
- Yes
- Scanner rules are current
- Yes
- Repository scan complete
- No
- Skill scan complete
- Yes
- Observed behavior
- Instructions only
- Last checked
- Nov 5, 2026
These are observations at the recorded commit, not a guarantee of safety. Review the source before running it.
Install this skill
Choose an agent in your Stack or copy a command below. Commands fetch the pinned commit and copy only this skill directory. Existing destinations are refused. Copying a command does not install anything.
An install command is unavailable: current rules, complete repository and skill scans, an eligible behavior level and a permitted license are required.
Repository context
- Repository stars (not skill ratings)
- 310
- Repository last updated
- Jun 19, 2026
- License
- MIT
Observed agent integration: No specific integration evidence. Standard SKILL.md installation does not imply verified compatibility.
- design Derived category
Files and excerpt
File metadata and permitted, redacted excerpts come from the recorded scan. Source links are pinned to that commit.
Browse files
SKILL.mdcore · 1,550 bytes
Read excerpt
# Chemistry — 9 Skills
Select the skill matching the user's need, then `read` its SKILL.md.
| Skill | Description |
|-------|-------------|
| [cactus-cheminformatics-guide](./cactus-cheminformatics-guide/SKILL.md) | PNNL cheminformatics LLM agent for molecular analysis |
| [catalysis-hub-api](./catalysis-hub-api/SKILL.md) | Query computational catalysis reaction data via Catalysis Hub GraphQL |
| [chemeagle-guide](./chemeagle-guide/SKILL.md) | Multi-agent system for chemical literature information extraction |
| [chemgraph-agent-guide](./chemgraph-agent-guide/SKILL.md) | Automate molecular simulations with the ChemGraph agentic framework |
| [computational-chemistry-guide](./computational-chemistry-guide/SKILL.md) | DFT, molecular simulation, and reaction prediction tools for chemists |
| [molecular-dynamics-guide](./molecular-dynamics-guide/SKILL.md) | Molecular dynamics simulation setup, execution, and trajectory analysis |
| [pubchem-api-guide](./pubchem-api-guide/SKILL.md) | Search PubChem for chemical compounds, structures, and bioassay data |
| [retrosynthesis-guide](./retrosynthesis-guide/SKILL.md) | Retrosynthetic analysis and computational reaction prediction |