CLI Reference

The package exposes a single CLI entrypoint:

psma run

Required arguments

  • input_path

  • --output-dir

  • --y-col

  • --label-threshold

  • --label-direction

Common optional arguments

  • --similarity-method

  • --split-method

  • --smiles-col

  • --emb-col

  • --fp-col

  • --triples-path

  • --test-fraction

  • --random-state

  • --butina-distance-cutoff

  • --log-level

Important behavior

  • the CLI currently accepts CSV inputs

  • --triples-path is required for nams_triples_import

  • logs are configured at the CLI layer, not in the library itself