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Research & Science · By argonne-lcf
3 skills found.
Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | 1.Pbs Hpc Prepare PBS HPC jobs, choose allocation and filesystem settings, submit and monitor jobs, and diagnose job output. | argonne-lcf/ | 162 | — | ~1.2k | Automated safety check: Pass | Apache-2.0 | yesterday |
| 2 | Develop, test, and extend ChemGraph -- an agentic framework for automated molecular simulations using LLMs, LangGraph, ASE, and MCP servers | argonne-lcf/ | 162 | — | ~2.7k | Automated safety check: Pass | Apache-2.0 | yesterday |
| 3 | Use ChemGraph Python and CLI workflows, agent-written batch scripts, and attached chemistry MCP tools. | argonne-lcf/ | 162 | — | ~743 | Automated safety check: Pass | Apache-2.0 | yesterday |
