fastfold-ai/skills

boltz

Run Boltz API workflows via the official `boltz-api` CLI — structure-and-binding, protein design/screen, small-molecule design/screen, ADME prediction, and job status/recovery.

First seen Jun 21, 2026

Installation

$ npx skills add fastfold-ai/skills --skill boltz

Summary

  • Run Boltz API workflows via the official `boltz-api` CLI — structure-and-binding, protein design/screen, small-molecule design/screen, ADME prediction, and job status/recovery.
  • Use when the user wants to estimate, submit, monitor, fetch results for, stop, or recover a Boltz API job.

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More details

Agent compatibility

Declared targets from SKILL.md / docs. Unmarked agents are not listed — the skill may still install via the CLI.

Claude Code Declared
Cursor Declared
Codex Declared
GitHub Copilot Not declared
Windsurf Not declared
Gemini CLI Not declared
Cline Not declared
OpenCode Not declared

Repository health

Stars 3
License MIT
Default branch main
Open issues 0
Status Active

Skill metadata

Parsed from SKILL.md frontmatter.

Declared agents claude-code cursor codex

Package contents

Files included with this skill beyond the listing page.

  • skill md SKILL.md 6,045 B
  • docs SUMMARY.md 298 B

History

  1. First seen on skills.sh
  2. First recorded snapshot · 37 installs

SKILL.md

Boltz

Overview

Drive the official boltz-api CLI directly for all Boltz workflows, following the three guardrails below and using the bundled persistence helper to keep results.

Mode → CLI resource:

Mode <resource> Extra flag
structure-and-binding (sab) predictions:structure-and-binding --model boltz-2.1
protein design protein:design
protein screen protein:library-screen
small-molecule design small-molecule:design
small-molecule screen small-molecule:library-screen
ADME predictions:adme --model adme-v1

Authentication

Preferred (Sandwalk agent): Set BOLTZAPIKEY via Sandwalk Integrations (Boltz / Fastfold Cloud provider wiring). Sandwalk mirrors configured provider keys into the chat shell env for shell.run. Do not ask the user to paste the secret in chat.

Alternatives: local .env / export BOLTZAPIKEY=..., or create a key in the Boltz console at https://api.boltz.bio/console (Fastfold Cloud provider page: https://cloud.fastfold.ai/integrations/providers?provider=boltz).

If BOLTZAPIKEY is missing: stop after a failed boltz-api / printenv BOLTZAPIKEY check; tell the user to configure Integrations (or export / .env) and retry. Do not hunt the filesystem for secrets.

Install

Golden rules

  1. Estimate, then confirm. Run estimate-cost first, show the user the cost, and only run a

billable start/run after they explicitly approve. Estimates never bill. A design/screen run can be stopped early (stop) to cap spend; sab/adme are short and cannot be stopped. There is no pause/resume of compute.

  1. Save results to a durable location — where depends on your runtime (pick one).

- Local agent (sandwalk, Claude Code, Codex, Cursor, or any local machine): the filesystem is plain POSIX and persists across the session. Download straight into a project-relative output dir — use --root-dir "${OUTPUTDIR:-./outputs}/boltz" (sandwalk sets OUTPUTDIR; other agents fall back to ./outputs/boltz). No copy step; don't use persist.sh. - Hosted sandbox with an S3-backed /workspace: the CLI can't download into /workspace directly (not a full POSIX filesystem), and /tmp is ephemeral (wiped on eviction). Download to /tmp/boltz-runs/<slug>, then copy to /workspace with scripts/persist.sh. - If unsure: $OUTPUT_DIR set or a writable ./outputs ⇒ local agent; a /workspace mount ⇒ hosted sandbox.

  1. Recover from the API, never re-submit. The job lives server-side. If the local run dir is gone,

find the job with list (match idempotency_key) and re-download-results by id. Never re-run a billable submit just to fetch results.

CLI cheat-sheet

Pick <resource> from the table above; reuse one <slug> per experiment as both --idempotency-key and --name. Payloads are passed as files via @yaml://payload.yaml.

Set <root> per rule 2 — local agent: "${OUTPUT_DIR:-./outputs}/boltz"; hosted sandbox: /tmp/boltz-runs (then persist.sh).

# Estimate (never bills)
boltz-api <resource> estimate-cost --input @yaml://payload.yaml        # + --model for sab/adme

# Submit + wait + download (after the user approves)
boltz-api <resource> run --input @yaml://payload.yaml \
  --idempotency-key <slug> --name <slug> --root-dir <root>
# hosted sandbox only: scripts/persist.sh /tmp/boltz-runs/<slug>       # copy to /workspace

# Or submit async, then poll + download later
boltz-api <resource> start --input @yaml://payload.yaml --idempotency-key <slug>   # prints job id
boltz-api <resource> retrieve --id <id> --format json                 # status / progress
boltz-api download-results --id <id> --name <slug> --root-dir <root>
# hosted sandbox only: scripts/persist.sh /tmp/boltz-runs/<slug>

# Inspect / enumerate
boltz-api <resource> list --limit 20 --format jsonl                    # find jobs by idempotency_key
boltz-api <resource> list-results --id <id> --format jsonl            # per-item results (design/screen)
                                                                       #   page with --after-id / --max-items -1

# Lifecycle
boltz-api <resource> stop --id <id>                                    # design/screen only, caps spend
boltz-api <resource> delete-data --id <id>                            # permanent + irreversible — confirm first

Notes:

  • run/download-results fetch the complete result set into <root>/<slug>/results/<result_id>/.

To return top/first N, read that directory (each item has metadata.json), or use list-results.

  • Recover after losing the local run dir: boltz-api <resource> list --limit 50 --format jsonl to find

the id, then download-results --id <id> --name <slug> --root-dir <root> (and persist.sh only on a hosted sandbox).

Payloads

Per-mode payload shapes and small copy-paste examples are in [references/examples.md](references/examples.md). Pass them with @yaml://<file>. If unsure of a mode's schema, check the example first — the estimate step also catches a bad payload cheaply before any billing.

Resources

  • [references/api.md](references/api.md) — mode↔resource mapping and raw HTTP endpoints.
  • [references/examples.md](references/examples.md) — payloads and prompt examples.
  • [references/results.md](references/results.md) — run directory layout and persistence/recovery notes.