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Updated 3mo ago

by yuyukurikawa

MulTiwFn-skills

Multiwfn 驱动的计算化学波函数分析与可视化 Codex Skill 集合

Works with
  • Codex
View on GitHub (opens in a new tab)

32 GitHub stars (32)

+1 in 16 days

Stars gained per day · daily snapshots since Sep 30
Stars gained per day, Sep 30 to Oct 16: +1 in total; the busiest day was Oct 3 with +1 stars.Oct 1: 0 starsOct 2: 0 starsOct 3: +1 starsOct 4: 0 starsOct 5: 0 starsOct 6: 0 starsOct 7: 0 starsOct 8: 0 starsOct 9: 0 starsOct 10: 0 starsOct 11: 0 starsOct 12: 0 starsOct 13: 0 starsOct 14: 0 starsOct 15: 0 starsOct 16: 0 stars
Stars gained between daily snapshots
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  • 4 skills (4 skills found in its SKILL.md files)
  • 0 forks (0 forks)
  • 3mo ago last update (Last updated 3mo ago)

Install

Skills CLI

npx skills add yuyukurikawa/MulTiwFn-skills

Asks which skills and agents to install. Just one: npx skills add yuyukurikawa/MulTiwFn-skills --skill aromatic-skill — add -g for every project.

Claude Code

git clone https://github.com/yuyukurikawa/MulTiwFn-skillscp -r "MulTiwFn-skills/skills/aromatic-skill" ~/.claude/skills/

Copies the aromatic-skill skill into ~/.claude/skills/ for every project (use .claude/skills/ for one project). Repeat for the other skills listed below.

Plugin

/plugin marketplace add yuyukurikawa/MulTiwFn-skills

Run inside Claude Code if the repository ships a plugin marketplace, then pick plugins from /plugin.

Skills can run code on your machine — read the SKILL.md first.

What it does

In the author's own words, from each skill's SKILL.md.

  • aromatic-skill

    Multiwfn aromaticity and electron-delocalization workflow skill. Use when the user includes --aromatic or asks for aromaticity, antiaromaticity, NICS, ICSS, HOMA, HOMAc, HOMER, Bird index, multicenter bond order, MCI, AV1245, PDI, FLU, FLU-pi, PLR, ITA aromaticity, Shannon aromaticity, ring critical point properties, ELF/LOL pi analysis, or LOLIPOP from SMILES, structures, wavefunction files, Gau…

    skills/aromatic-skill/SKILL.md on GitHub (opens in a new tab)

  • esp-surface-analysis

    Automatic ESP electrostatic potential surface analysis and figure generation for computational chemistry. Use when the user includes --ESP or asks for ESP/MEP/electrostatic-potential surface analysis, Multiwfn ESP cube generation, or publication-style ESP molecular surface rendering from local wavefunction files such as .fchk, .fch, .wfn, .wfx, .molden, .mwfn, .cube, .cub, .xyz, .mol, .sdf, .pdb,…

    skills/esp-surface-skill/SKILL.md on GitHub (opens in a new tab)

  • input-skill

    Generate Gaussian and ORCA quantum-chemistry input files from user-provided SMILES strings using RDKit for single-conformer 3D structure generation, Multiwfn for geometry injection, resource-aware templates, and a curated benchmark rule library. Use when the user asks for Gaussian .gjf/.com or ORCA .inp input generation, SMILES-to-input workflows, automatic method/basis recommendation, or computa…

    skills/input-skill/SKILL.md on GitHub (opens in a new tab)

  • molecular-orbital-visualization

    Automatic molecular orbital visualization for computational chemistry. Use when the user includes --MO or asks for HOMO, LUMO, orbital number, molecular orbital, MO cube, frontier orbital, or publication-style front/side orbital views from local wavefunction files such as .fchk, .fch, .wfn, .wfx, .molden, .mwfn, .cube, .cub, .xyz, .mol, .sdf, .pdb, or .mol2.

    skills/orb-visualize-skill/SKILL.md on GitHub (opens in a new tab)

Review before you install

A skill is a set of instructions and scripts your agent will follow, and it can run code on your machine. Read the SKILL.md and any scripts first — this listing is not a security review.