LICENSE
README.md
pyproject.toml
src/pheat/__init__.py
src/pheat/archive.py
src/pheat/bcif.py
src/pheat/bonds.py
src/pheat/ccd.py
src/pheat/centroid.py
src/pheat/cli.py
src/pheat/corpus.py
src/pheat/domains.py
src/pheat/examples.py
src/pheat/geometry.py
src/pheat/geometry_tables.py
src/pheat/hydrogens.py
src/pheat/metrics.py
src/pheat/mmcif.py
src/pheat/models.py
src/pheat/molstar_assets.py
src/pheat/pdbio.py
src/pheat/reference.py
src/pheat/report_assets.py
src/pheat/residue_geometry.py
src/pheat/residues.py
src/pheat/roundtrip.py
src/pheat/sasa.py
src/pheat/score_contracts.py
src/pheat/score_tables.py
src/pheat/scoring.py
src/pheat/software_provenance.py
src/pheat/sources.py
src/pheat/training.py
src/pheat/webapp.py
src/pheat.egg-info/PKG-INFO
src/pheat.egg-info/SOURCES.txt
src/pheat.egg-info/dependency_links.txt
src/pheat.egg-info/entry_points.txt
src/pheat.egg-info/requires.txt
src/pheat.egg-info/top_level.txt
src/pheat/data/examples/arxiv-2507-08955/manifest.json
src/pheat/data/examples/diversity/manifest.json
src/pheat/data/geometry/ccd-sidechain-geometry-v1.json
src/pheat/data/geometry/manifest.json
src/pheat/data/scoring/v0/manifest.json
src/pheat/data/scoring/v0/pheat-ml-linear-aqueous.json.xz
src/pheat/data/scoring/v0/pheat-ml-linear-membrane.json.xz
src/pheat/data/scoring/v0/protein-heavy-30id-xray-aqueous/score-tables.json.xz
src/pheat/data/scoring/v0/protein-heavy-30id-xray-membrane/score-tables.json.xz
src/pheat/data/sources/manifest.json
src/pheat/schemas/__init__.py
src/pheat/schemas/atom-structure.schema.json
src/pheat/schemas/benchmark-result.schema.json
src/pheat/schemas/centroid-structure.schema.json
src/pheat/schemas/corpus-spec.schema.json
src/pheat/schemas/decoy-set-manifest.schema.json
src/pheat/schemas/energy-result.schema.json
src/pheat/schemas/geometry-table-set.schema.json
src/pheat/schemas/radius-of-gyration-result.schema.json
src/pheat/schemas/reference-dataset-manifest.schema.json
src/pheat/schemas/residue-angle-specs.schema.json
src/pheat/schemas/residue-geometry-structure.schema.json
src/pheat/schemas/score-model-option-specs.schema.json
src/pheat/schemas/score-table-set.schema.json
src/pheat/schemas/scoring-options-validation.schema.json
src/pheat/schemas/software-comparison.schema.json
src/pheat/schemas/training-corpus.schema.json
tests/test_archive.py
tests/test_backend.py
tests/test_bcif.py
tests/test_cli_status.py
tests/test_downloads.py
tests/test_metrics_ensemble.py
tests/test_mmcif.py
tests/test_packaging.py
tests/test_pdbio_edges.py
tests/test_pdbio_fetch.py
tests/test_reference_corpus.py
tests/test_report_assets.py
tests/test_software_provenance.py
tests/test_training.py