pyscf-quantum-chemistry
About
This skill provides expert guidance for performing quantum chemistry calculations using the PySCF Python library. It supports methods ranging from Hartree-Fock to advanced coupled cluster (CCSD(T)) and multireference techniques like CASSCF. Use it when you need to set up, run, or analyze molecular electronic structure computations within Claude.
Quick Install
Claude Code
Recommendednpx skills add a5c-ai/babysitter -a claude-code/plugin add https://github.com/a5c-ai/babysittergit clone https://github.com/a5c-ai/babysitter.git ~/.claude/skills/pyscf-quantum-chemistryCopy and paste this command in Claude Code to install this skill
GitHub Repository
Frequently asked questions
What is the pyscf-quantum-chemistry skill?
pyscf-quantum-chemistry is a Claude Skill by a5c-ai. Skills package instructions and resources that Claude loads on demand, so Claude can perform pyscf-quantum-chemistry-related tasks without extra prompting.
How do I install pyscf-quantum-chemistry?
Use the install commands on this page: add pyscf-quantum-chemistry to Claude Code as a plugin, or clone its repository into your skills directory, then restart Claude so it picks up the skill.
What category does pyscf-quantum-chemistry belong to?
pyscf-quantum-chemistry is in the Meta category, tagged general.
Is pyscf-quantum-chemistry free to use?
Yes. pyscf-quantum-chemistry is listed on AIMCP and free to install. It runs inside Claude, so no separate service account is required to use the skill itself.
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