learningmatter-mit/atomisticskills · Archived
chem-dft-orca-optimization
Run DFT geometry optimization (minimization or TS search) on a molecular structure using ORCA via SCINE/ReaDuct wrapper.
Installation
npx skills add https://github.com/learningmatter-mit/atomisticskills
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Other skills from learningmatter-mit/atomisticskills.
npx skills add https://github.com/learningmatter-mit/atomisticskills
More details
Agent compatibility
Declared targets from SKILL.md / docs. Unmarked agents are not listed — the skill may still install via the CLI.
Repository health
main
History
- First recorded snapshot · 1 installs