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Design Small-Molecule Candidates for a Target
Generate new ligand candidates for a protein target instead of screening an existing compound library.
Skills
For de novo candidate discovery, provide the protein sequence and optional pocket residues or reference ligands, then decide whether to constrain the chemical space. Use the CLI to estimate total cost and present it; submit only after explicit approval. Once results download, inspect candidates against the selected objective and retain both structures and molecule identifiers.
Permissions
Prerequisites
- An authenticated Boltz CLI, target protein sequence, and local result storage; choose candidate count and budget first.
Permissions
- Uploads the protein target and chemical constraints, submits a potentially costly generation job, and writes candidate structures. Never submit before explicit approval of the estimate.
Limitations
Generated hits are computational candidates requiring independent chemistry, synthesizability, and experimental review. An optimization score does not establish an effective medicine.
Pinned upstream source
- Repository
- openai/plugins
- File path
- plugins/boltz-api-cli/skills/boltz-small-molecule-design/SKILL.md
- Pinned commit
0722921d5542fc593105c27bd52630babd8b8c2a- Source checked
- 2026-10-14 · Reviewed against the pinned upstream source
Repository metrics
These values describe the upstream repository, not popularity or likes for an individual skill or playbook.
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License: MIT
Compatible tools
Boltz API CLI
Main topic
Turn ecommerce campaign materials into a reviewable weekly brief