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Designing new small molecules for a target v1.0.0

Use this resource to design new small molecules likely to bind a target

New

  • 438 downloads
  • 216 likes
  • 184 saves

Free

Install with the CLI

In a terminal, from the folder you want:

npx --yes palatekit@latest install de-novo-small-molecule-design

With no option, the skill goes to ~/.agents/skills/; add --agent claude-code (or codex, cursor…) to target an agent.

First time: connect the CLI with

npx --yes palatekit@latest login

The agent launches a de novo small-molecule design for your target, tracks the job in the background and saves the results per presentation. It does not run screening of an existing library or one-off docking.

Mostly picked by

Updated November 2, 2026

Card for the “Designing new small molecules for a target” skill

Details

Works in
Install guides
Generates with
Your agent's model
Licence
MIT

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What you get

  • SKILL.md: design command, background execution and outputs
  • references/api.md: API parameters
  • references/results.md: reading presentations and results

Good fit for

  • You look for novel hits on a target with no starting library
  • You want to generate a batch of ligands to test next

Not for

    Tags

    • boltz
    • design
    • molecule
    • ligand
    • hits

    About

    You say

    “Generate a batch of novel small molecules for the target protein, for a first sort.”

    Card for the “Designing new small molecules for a target” skill

    Skill published by openai under the MIT license, delivered in its original version.

    Show more

    How to use it

    1. Install the skill in your agent's skills folder
    2. Ask your agent to design new small molecules likely to bind a target
    3. Review and adjust the result

    Content preview

    Files

    • agents/openai.yaml0.2 KB
    • LICENSE11.3 KB
    • NOTICE-PALATEKIT.md0.5 KB
    • references/api.md8.1 KB
    • references/results.md1.5 KB
    • SKILL.md8.6 KB

    Origin and licence

    Listed unmodified

    Author
    openai
    Source
    github.com/openai/plugins/tree/0722921d5542fc593105c27bd52630babd8b8c2a/plugins/boltz-api-cli/skills/boltz-small-molecule-design
    Licence
    MIT

    Notice

    « boltz-small-molecule-design » (openai, MIT) livré dans sa version d'origine : fiche en français et en anglais par PalateKit.

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