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Small Molecule
Design

Run

Custom CLI workflow command for `boltz-api small-molecule:design run`.

Start a pipeline run, wait for completion, and download results. Prefer --input for full payloads; top-level flags remain available as overrides.

This is CLI workflow behavior, not a standalone REST endpoint. It composes generated API commands from this resource to submit work, wait for completion, and persist local results.

Terminal window
boltz-api small-molecule:design run
OptionDescription
--input [ --input ]Structured request input. Merges fields into the top-level request body. Prefer —input for complete structured payloads or @json://... files. Top-level body flags can still override individual fields. Keep --idempotency-key and --workspace-id top-level; if also present in --input, the top-level flag wins.
--num-moleculesNumber of molecules to generate. Must be between 10 and 1,000,000. You can set this directly, or prefer —input for the full payload. If both are set, this flag overrides the matching field from --input.
--target [ --target ]Target protein sequences for small molecule design or screening. You can set this directly, or prefer —input for the full payload. If both are set, this flag overrides the matching field from --input.
--chemical-spaceChemical space to constrain generated molecules. Currently only ‘enamine_real’ (Enamine REAL chemical space) is supported. Additional options may be added in the future. You can set this directly, or prefer —input for the full payload. If both are set, this flag overrides the matching field from --input.
--idempotency-keyClient-provided key to prevent duplicate submissions on retries. Keep this as a top-level flag even when using —input. If also present in --input, this top-level flag wins.
--molecule-filters [ --molecule-filters ]Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering and custom filters. You can set this directly, or prefer —input for the full payload. If both are set, this flag overrides the matching field from --input.
--workspace-idTarget workspace ID (admin keys only; ignored for workspace keys). Keep this as a top-level flag even when using —input. If also present in --input, this top-level flag wins.
--name stringLocal run directory name under —root-dir
--run-dir stringExplicit local run directory path
--root-dir stringRoot directory for generated local run directories (default: “boltz-experiments”)
--poll-interval-seconds floatPolling interval while waiting for remote results (default: 5)
--progress-format jsonlFormat for progress logs written to stderr (jsonl or text). jsonl is the default agent-friendly format. (default: “jsonl”)
--verbose, -vPrint text progress logs to stderr when —progress-format text is selected (default: false)
--download-mode everythingPipeline artifact download mode (everything or metadata_only). (default: “everything”)
--workers int, --num-workers int, --num_workers intNumber of concurrent pipeline result archive downloads (default: 32)
--help, -hshow help