Claude Code Skills·Claude Skills·The open SKILL.md registry for Claude
ClaudSkills / Science & Research / chemistry

Conformer Generation Rdkit

Category: Science & Research  ·  Sub-category: chemistry  ·  Last updated:
Use when when you have ionized adduct structures (SMILES or MOL format) from an ionization-state determination step and need to create an ensemble of relaxed 3D geometries for each molecule prior to expensive conformation filtering (e.g., ASE-ANI or quantum methods).
Security AStatic scan found no risk patternsHow grading works ›

About this skill (catalog notes)

Conformer Generation Rdkit includes explicit scope boundaries (an explicit 'when not to use' or 'out of scope' section); worked examples; at least one code block. The SKILL.md runs to about 801 words, in the catalog's typical mid-range.

Source
holobiomicslab.cnrs.fr
License
Apache-2.0
Original author
HolobiomicsLab
Indexed lastmod
Catalog position
Science & Research · chemistry
Indexed related skills
10

How Conformer Generation Rdkit fits the catalog

Conformer Generation Rdkit sits in the Science & Research category under the chemistry sub-topic in the ClaudSkills catalog. There are 10 related skills indexed alongside it; comparing a few before installing usually reveals which fits your workflow best.

These notes are auto-generated from features detected in the SKILL.md file and from this catalog's structure — they aren't part of the source repository.

What this skill does

Conformer Generation Rdkit is a community-contributed Claude Code skill in the chemistry sub-category. It ships as a SKILL.md file that Claude Code auto-discovers under ~/.claude/skills/conformer-generation-rdkit/ and loads when your prompt matches the skill's trigger.

When to invoke it: Use when when you have ionized adduct structures (SMILES or MOL format) from an ionization-state determination step and need to create an ensemble of relaxed 3D geometries for each molecule prior to expensive conformation filtering (e.g.

Who uses this skill

The Conformer Generation Rdkit Claude Code skill is built for researchers, data scientists, academics, and analysts working with complex data and scientific literature. It's part of ClaudSkills (also referred to as Claude Skills or Claude Code Skills) — the open community-curated registry of 146,000+ SKILL.md files for Anthropic's Claude Code agent and the wider Claude ecosystem (Claude API, Claude Agent SDK).

How to install

Free

Manual install (2 steps)

mkdir -p ~/.claude/skills/conformer-generation-rdkit
curl -L https://claudskills.com/skills/conformer-generation-rdkit/SKILL.md \
  -o ~/.claude/skills/conformer-generation-rdkit/SKILL.md

Or just download SKILL.md directly and drop it into ~/.claude/skills/conformer-generation-rdkit/. Claude Code auto-discovers it on next session.

Skills live at ~/.claude/skills/conformer-generation-rdkit/SKILL.md on macOS/Linux, or %USERPROFILE%\.claude\skills\conformer-generation-rdkit\SKILL.md on Windows. See the full install guide for step-by-step instructions.

Telegram

📱 Install from your phone or desktop Telegram

Open @claudskills_bot on Telegram, tap Open Desktop App, and the desktop app installs this skill for you. Or share the bot link with a colleague — they get the same one-tap install. Learn more →

Pro

One-click install via the desktop app

The ClaudSkills desktop app installs any skill directly into ~/.claude/skills/ with one click — no terminal required. Pro starts at $9/mo or $149 lifetime.

Pro

For the full experience including quality scoring and one-click install features for each skill — upgrade to Pro.

Frequently asked questions

How do I install the Conformer Generation Rdkit Claude Code skill?
Install via the ClaudSkills desktop app (one click) or copy SKILL.md from the source repository to ~/.claude/skills/conformer-generation-rdkit/SKILL.md and restart Claude Code. Both flows are detailed at claudskills.com/install/.
What does the Conformer Generation Rdkit skill do?
Use when when you have ionized adduct structures (SMILES or MOL format) from an ionization-state determination step and need to create an ensemble of relaxed 3D geometries for each molecule prior to expensive conformation filtering (e.g., ASE-ANI or quantum methods).
Is this skill free to install?
Yes. ClaudSkills is an open registry — every skill keeps its source repository's license, and manual install via copy is free. ClaudSkills Pro ($9/mo, $79/yr, or $149 one-time) adds one-click install via the desktop app and a multi-signal Quality Score.
When should I use the Conformer Generation Rdkit skill?
Use Conformer Generation Rdkit when your Claude Code task falls under the Science & Research category — specifically in the chemistry area. Claude Code auto-discovers installed skills and invokes the right one based on the task description, so you can also ask Claude directly (e.g. "use Conformer Generation Rdkit" or describe the task and let Claude pick). Browse related skills at /category/science/.
What is a Claude Code skill and how does the Conformer Generation Rdkit skill fit in?
A Claude Code skill is a SKILL.md file that lives under ~/.claude/skills/<name>/ and tells the Claude Code CLI agent how to perform a specific task (instructions, prompts, allowed tools). Skills are auto-discovered at session start. Conformer Generation Rdkit is one of 67,000+ skills indexed in the open ClaudSkills catalog, classified under the Science & Research category. Learn more at /learn/what-is-a-claude-skill/.

Attribution & license

Cite this skill

If you reference this skill in a blog post, paper, or documentation, you can cite it as:

APA
HolobiomicsLab. (2026). Conformer Generation Rdkit [Claude Code skill]. ClaudSkills. https://claudskills.com/skills/conformer-generation-rdkit/
BibTeX
@misc{conformer-generation-rdkit-2026,
  author    = {HolobiomicsLab},
  title     = {Conformer Generation Rdkit [Claude Code skill]},
  year      = {2026},
  publisher = {ClaudSkills},
  url       = {https://claudskills.com/skills/conformer-generation-rdkit/}
}

Embed this skill

Promote, attribute, or link this skill from your own README, blog post, or documentation. All three snippets are free to use — no sign-up, no API key. More distribution surfaces →

Badge
[![ClaudSkills](https://claudskills.com/badge/conformer-generation-rdkit.svg)](https://claudskills.com/skills/conformer-generation-rdkit/?utm_source=badge&utm_medium=readme&utm_campaign=skill_badge)
<script>
<script src="https://claudskills.com/embed/conformer-generation-rdkit.js" async></script>
<iframe>
<iframe src="https://claudskills.com/embed/conformer-generation-rdkit.html" width="100%" height="160" frameborder="0" loading="lazy" title="ClaudSkills: Conformer Generation Rdkit"></iframe>

Security scan

Grade A · scanned 2026-07-06 — free static scan against the OWASP Agentic Skills Top 10.

No risk patterns were found in any of the ten OWASP-aligned categories. How grading works ›

Show this grade on your repo (click to copy):

[![Security: A](https://img.shields.io/badge/Security-A-2e7d32)](https://claudskills.com/skills/conformer-generation-rdkit/#security)

Free. No spam. Unsubscribe in one click.

More Science & Research skills

Browse all Science & Research skills in the ClaudSkills registry, or explore these other picks from the same category:

Browse all Science & Research skills → Top 100 skills
Part of ClaudSkills — the open registry for Claude Skills & Claude Code Skills.  ·  What's New  ·  Install guide  ·  About  ·  llms.txt

Part of Acreator Store — Adam Lankamer's AI tools: PerfectStudio · Ucaption · UTagger · AutoXPoster · TestYourSkills · AutomationFlows · Au Naturel · Telegram @acreatorstore