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computational-chemist

100 / 100 · Low risk

Fine to try.

By stanfish06/skillquarium (GitHub) · other · 12 stars · scanned at commit f748ea9

Expert-thinking profile for Computational Chemist (computational / dry / quantum chemistry & molecular simulation): Reasons from Kohn–Sham DFT, def2/D4 functional selection, and conformer ensembles through VASP/Gaussian/ORCA, AMBER/GROMACS MD, CREST/CENSO sampling, ONIOM/QM/MM electrostatic embedding, GMTKN55 validation, and SCF convergence escalation while treating B3LYP/6-31G*, BSSE, link-atom artifacts, and force-field mismatch...

Works with any agent that supports SKILL.md skills.

What this skill can do

We found nothing in the files we read that matches our rules. That does not prove the skill is safe: see the limits of static scanning.

Install

Paste this into your terminal. It downloads exactly the version we scanned, not whatever is newest.

if [ -e ~/.agents/skills/'computational-chemist' ] || [ -L ~/.agents/skills/'computational-chemist' ]; then echo 'A skill folder named computational-chemist already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/stanfish06/skillquarium' "$d" && git -C "$d" checkout --quiet 'f748ea91aa51ce8fc42c27c809dba73a8377b1d5' -- 'skills/computational-chemist' && mkdir -p ~/.agents/skills && cp -R "$d"/'skills/computational-chemist' ~/.agents/skills/'computational-chemist' && rm -rf "$d"; fi

Codex reads ~/.agents/skills directly. For Claude Code, Cursor, Copilot, Gemini CLI, Antigravity or OpenCode, also link it. For Claude Code: ln -s ~/.agents/skills/'computational-chemist' ~/.claude/skills/'computational-chemist' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

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