Output Artifacts

The standard artifact-writing path produces a small set of files that capture the model surface, projected compounds, and run metadata.

CSV files

  • train_coords.csv

    • embedded training coordinates and labels

  • test_coords.csv

    • projected test coordinates and scores

  • predictions_test.csv

    • same tabular test prediction payload used for downstream inspection

Array artifact

  • surface_grid.npz

    • grid_x

    • grid_y

    • posterior_z

    • pos_density_z

JSON metadata

  • params.json

    • run configuration

  • metrics.json

    • evaluation summary and metric metadata

Python return value

When you use the library API rather than only the CLI, the workflow returns typed public dataclasses from psma.results.