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De novo enzyme design by catalytic motif v1.0.0
Use this resource to design an enzyme for a named reaction and triage the designs
New
- 300 downloads
- 190 likes
- 241 saves
Free
Install with the CLI
In a terminal, from the folder you want:
npx --yes palatekit@latest install de-novo-enzyme-design-workflowWith 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 loginThe agent defines the reaction, builds the catalytic motif, generates scaffolds, folds every mechanistic state and filters designs by catalytic geometry and hydrogen bonds. The file notes that the filters matter more than the generator. You get a ranked list of designs to order.
Mostly picked by
Updated November 2, 2026
Previews
Details
- Install guides
- Generates with
- Your agent's model
- Licence
- Apache-2.0
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What you get
- SKILL.md : six-phase workflow from motif to filtering
- FILTERING.md : mechanism-based filtering criteria
- CAVEATS.md : known limits of the method
Good fit for
- You want to design an enzyme for a specific reaction
- You must choose which designs to synthesize
Not for
Tags
- enzyme
- de novo design
- catalytic motif
- filtering
About
You say
“Design an enzyme for the hydrolysis of this ester and rank the designs.”
Skill published by mims-harvard under the Apache-2.0 license, delivered in its original version.
Show moreShow less
How to use it
- Install the skill in your agent's skills folder
- Ask your agent to design an enzyme for a named reaction and triage the designs
- Review and adjust the result
Content preview
Files
- CAVEATS.md6.1 KB
- FILTERING.md12.2 KB
- LICENSE11.1 KB
- NOTICE-PALATEKIT.md0.5 KB
- SKILL.md13.2 KB
Origin and licence
Listed unmodified
- Author
- mims-harvard
- Source
- github.com/mims-harvard/tooluniverse/tree/169d065deeb3e289b3ff36d665529a123bdad791/skills/tooluniverse-enzyme-design
- Licence
- Apache-2.0
Notice
« tooluniverse-enzyme-design » (mims-harvard, Apache-2.0) livré dans sa version d'origine : fiche en français et en anglais par PalateKit.
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