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Rdkit

Listed
davila7·vlatest·other·MIT

RdKit allows you to generate chemical structures and perform molecular calculations, streamlining research in chemistry and drug discovery.

Repository

Install on your platform

Showing Claude Code. One command installs this skill into any of the agents below.

  1. 1

    Run this in your project

    terminal
    $ npx skills add davila7/claude-code-templates --skill rdkit -a claude-code

  2. Uses the open-source skills CLI and needs Node.js. Add -g to install it for your user instead of this project.

What we know about this skill

Publisher

davila7

Taken from the source listing. We haven't verified who controls this account.

Install target

Live repository

Not pinned. Installing fetches whatever the repository holds at the time you run the command.

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Automated safety checks

scanned

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Not scanned. none of the 457 skills in the repository match this slug — it was most likely renamed or removed upstream after the registry indexed it Source recorded as davila7/claude-code-templates.
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About this skill

What it does

This skill provides access to RDKit, an open-source cheminformatics toolkit. It allows AI agents to perform molecular manipulations like generating 2D depictions of molecules, calculating molecular properties (e.g., logP, molecular weight), and performing chemical reactions. This is useful for tasks involving drug discovery, materials science, or any application requiring analysis and manipulation of chemical structures.

When to use it

  • Drug Discovery: Predicting the properties of potential drug candidates based on their molecular structure.
  • Materials Science: Analyzing the composition and characteristics of novel materials.
  • Chemical Reaction Prediction: Predicting products or reactants for a given chemical reaction.
  • Molecular Visualization: Generating images and representations of molecules for reports or presentations.

Key capabilities

  • 2D Molecular Depictions
  • Property Calculation (e.g., logP, molecular weight)
  • Chemical Reaction Handling

Example prompts

  • "Generate a 2D depiction of aspirin."
  • "Calculate the molecular weight of caffeine."
  • "Predict the products of reacting benzene with chlorine in the presence of iron(III) chloride."

Tips & gotchas

  • Requires familiarity with chemical structure representation (e.g., SMILES, MOL files).
  • RDKit can be computationally intensive for complex molecules or large datasets.