# NegBioDB Pipeline Makefile .PHONY: setup db test clean \ ge-db ge-download-depmap ge-load-depmap ge-load-rnai ge-export ge-all ge-clean ge-test # === Week 1: Scaffolding === setup: uv venv uv sync --all-extras mkdir -p data exports db: setup uv run python -c "from negbiodb.db import create_database; create_database()" test: setup uv run pytest tests/ -v clean: rm -f data/negbiodb.db rm -rf exports/* __pycache__ .pytest_cache find . -name "*.pyc" -delete 2>/dev/null || true # === Week 2: Data Download === .PHONY: download download-pubchem download-chembl download-bindingdb download-davis download-pubchem: setup uv run python scripts/download_pubchem.py download-chembl: setup uv run python scripts/download_chembl.py download-bindingdb: setup uv run python scripts/download_bindingdb.py download-davis: setup uv run python scripts/download_davis.py download: download-pubchem download-chembl download-bindingdb download-davis # === ETL: Load Sources === .PHONY: load-davis load-chembl load-pubchem load-bindingdb load-all load-davis: db download-davis uv run python scripts/load_davis.py load-chembl: db download-chembl uv run python scripts/load_chembl.py load-pubchem: db download-pubchem uv run python scripts/load_pubchem.py load-bindingdb: db download-bindingdb uv run python scripts/load_bindingdb.py load-all: load-davis load-chembl load-pubchem load-bindingdb # ============================================================ # Clinical Trial Failure Domain # ============================================================ .PHONY: ct-db ct-download ct-load-aact ct-classify ct-resolve ct-outcomes ct-all ct-clean ct-db: setup uv run python -c "from negbiodb_ct.ct_db import create_ct_database; create_ct_database()" ct-download-aact: setup uv run python scripts_ct/download_aact.py ct-download-opentargets: setup uv run python scripts_ct/download_opentargets.py ct-download-cto: setup uv run python scripts_ct/download_cto.py ct-download-shi-du: setup uv run python scripts_ct/download_shi_du.py ct-download: ct-download-opentargets ct-download-cto ct-download-shi-du @echo "NOTE: AACT requires --url flag. Run: make ct-download-aact" ct-load-aact: ct-db uv run python scripts_ct/load_aact.py ct-classify: ct-load-aact uv run python scripts_ct/classify_failures.py ct-resolve: ct-load-aact uv run python scripts_ct/resolve_drugs.py ct-outcomes: ct-classify uv run python scripts_ct/load_outcomes.py ct-all: ct-db ct-load-aact ct-classify ct-resolve ct-outcomes @echo "CT pipeline complete." ct-clean: rm -f data/negbiodb_ct.db @echo "CT database removed." ct-test: setup uv run pytest tests/test_ct_db.py tests/test_etl_aact.py tests/test_etl_classify.py tests/test_drug_resolver.py tests/test_etl_outcomes.py -v # ============================================================ # Protein-Protein Interaction Negative Domain # ============================================================ .PHONY: ppi-db ppi-download ppi-load-huri ppi-load-intact ppi-load-humap ppi-load-string ppi-all ppi-clean ppi-test ppi-db: setup uv run python -c "from negbiodb_ppi.ppi_db import create_ppi_database; create_ppi_database()" ppi-download-huri: setup uv run python scripts_ppi/download_huri.py ppi-download-intact: setup uv run python scripts_ppi/download_intact.py ppi-download-humap: setup uv run python scripts_ppi/download_humap.py ppi-download-string: setup uv run python scripts_ppi/download_string.py ppi-download-biogrid: setup uv run python scripts_ppi/download_biogrid.py ppi-download: ppi-download-huri ppi-download-intact ppi-download-humap ppi-download-string ppi-download-biogrid ppi-load-huri: ppi-db ppi-download-huri uv run python scripts_ppi/load_huri.py ppi-load-intact: ppi-db ppi-download-intact uv run python scripts_ppi/load_intact.py ppi-load-humap: ppi-db ppi-download-humap uv run python scripts_ppi/load_humap.py ppi-load-string: ppi-db ppi-download-string uv run python scripts_ppi/load_string.py ppi-all: ppi-db ppi-load-huri ppi-load-intact ppi-load-humap ppi-load-string @echo "PPI pipeline complete." ppi-clean: rm -f data/negbiodb_ppi.db @echo "PPI database removed." ppi-test: setup uv run pytest tests/test_ppi_db.py tests/test_protein_mapper.py tests/test_etl_huri.py tests/test_etl_intact.py tests/test_etl_humap.py tests/test_etl_string.py -v # === GE/DepMap Domain === ge-db: uv run python -c "from negbiodb_depmap.depmap_db import init_db; init_db()" @echo "GE database initialized." ge-download-depmap: uv run python scripts_depmap/download_depmap.py ge-load-depmap: ge-db ge-download-depmap uv run python scripts_depmap/load_depmap.py ge-load-rnai: ge-db ge-download-depmap uv run python scripts_depmap/load_rnai.py ge-export: ge-db uv run python scripts_depmap/export_ge_ml_dataset.py ge-all: ge-db ge-load-depmap ge-load-rnai ge-export @echo "GE pipeline complete." ge-clean: rm -f data/negbiodb_depmap.db @echo "GE database removed." ge-test: setup uv run pytest tests/test_ge_db.py tests/test_ge_features.py tests/test_etl_depmap.py tests/test_etl_rnai.py tests/test_ge_export.py -v