Workbench served root layout

The OCScore Workbench dashboard is started with a served root — the OCScore output directory you point the server at (for example .../OCScore/output).

Raw modeling inputs (raw_prepare/)

The Design tab discovers descriptor columns from CSV headers under:

{served_root}/raw_prepare/raw_pdbbind.csv
{served_root}/raw_prepare/raw_dudez.csv

When both files exist, the UI auto-loads features on tab open. You do not need to paste paths manually unless your layout differs.

Discovery is header-only (columns_only: true in the API response): the Workbench reads column names from the first row and never loads the full tables. This keeps large (~400+ column) inputs fast.

Case sensitivity: the feature browser filter is case-insensitive (display only). Wildcards and policy patterns (include_patterns, exclude_patterns) are case-sensitive, matching Python fnmatch.fnmatchcase and CSV column names exactly (e.g. ligand_*, not Ligand_*).

Metadata columns (database, target, receptor/ligand identifiers, etc.) and target columns are stripped automatically before building the candidate feature list shown in the browser.

API: POST /api/ablation-design/features

Request body (all optional when defaults exist):

  • raw_input_dir — directory containing the two CSVs

  • pdbbind_input / dudez_input — explicit file paths

  • merged_input — single merged CSV alternative

  • feature_source — auto, pdbbind, dudez, or union

The response includes candidate_features, grouped columns, metadata_columns, target_columns, and columns_only: true.

Custom ablation policies

Designed policies can be written into the workspace (not the bundled package) via Write to workspace in the Design tab, which calls POST /api/ablation-design/write. Shipped policies under OCScore/Protocols/Ablations/ remain read-only; workspace copies live under paths such as {layout_root}/Ablations/my_policy.yml.

Protocol similarity (Ablation tab)

The Protocol similarity zone compares bundled and workspace ablation policies after pattern expansion. The heatmap and PNG/Copy/SVG export always include every protocol. A cluster legend filters the overview table and family grid below; family diffs are computed against the default full_ocscore reference baseline.

Query parameters for GET /api/ablation-protocol-similarity:

  • metric — comparison metric token, e.g. auc:max

  • reference — reference policy for add/remove diffs (default full_ocscore)

  • include_catalog_only — true to include policies without workspace runs

Candidate features resolve from replica feature_policy_metadata.json when present, otherwise from raw_prepare headers (same path as Design tab discovery).