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Scientific

datamol

Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization, descriptors,…

datamol is an Agent Skill — a folder with a SKILL.md and any helper scripts that a coding agent loads on demand. Drop it in your skills directory and the agent picks it up the next time the task matches.

Everything on this page — the summary, the category and the how-to — is written by HowToPrompts; the link below goes to the original project.

CategoryScientific
/skill add datamol

How to use it

  1. Copy the skill folder into your agent's skills directory, or run the add command above.
  2. Reload the agent so it re-scans available skills.
  3. Trigger it by describing the task — the agent loads the skill when it matches.
Compiled and written by HowToPrompts from public sources.

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