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Guided run

Search for similar molecules

Creates a diagnostic similarity-search job: a worker finds the top-k molecules most similar to a target SMILES.

Before starting

Expected columns: chembl_id and canonical_smiles.

CCO is ethanol. For gefitinib, use its SMILES here or the local CLI with --query-id.

This is the top-k within each shard, not a global top-k for the whole dataset yet.

Fewer rows mean more tasks and more visible progress; more rows mean fewer, longer tasks.

Useful for a quick check of a large TSV. The coordinator creates shards from only the first N data rows; it still stores the original upload.

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