LICENSE
README.md
pyproject.toml
setup.py
synth_pdb/__init__.py
synth_pdb/batch_generator.py
synth_pdb/biophysics.py
synth_pdb/chemical_shifts.py
synth_pdb/cofactors.py
synth_pdb/contact.py
synth_pdb/coupling.py
synth_pdb/data.py
synth_pdb/dataset.py
synth_pdb/decoys.py
synth_pdb/distogram.py
synth_pdb/docking.py
synth_pdb/evolution.py
synth_pdb/export.py
synth_pdb/generator.py
synth_pdb/geometry.py
synth_pdb/j_coupling.py
synth_pdb/main.py
synth_pdb/msa.py
synth_pdb/nef_io.py
synth_pdb/nmr.py
synth_pdb/orientogram.py
synth_pdb/packing.py
synth_pdb/pdb_utils.py
synth_pdb/physics.py
synth_pdb/plm.py
synth_pdb/py.typed
synth_pdb/rdc.py
synth_pdb/relaxation.py
synth_pdb/scoring.py
synth_pdb/special_chemistry.py
synth_pdb/structure_utils.py
synth_pdb/torsion.py
synth_pdb/validator.py
synth_pdb/viewer.py
synth_pdb/visualization.py
synth_pdb.egg-info/PKG-INFO
synth_pdb.egg-info/SOURCES.txt
synth_pdb.egg-info/dependency_links.txt
synth_pdb.egg-info/entry_points.txt
synth_pdb.egg-info/requires.txt
synth_pdb.egg-info/top_level.txt
synth_pdb/quality/__init__.py
synth_pdb/quality/classifier.py
synth_pdb/quality/features.py
synth_pdb/quality/interpolate.py
synth_pdb/quality/gnn/__init__.py
synth_pdb/quality/gnn/gnn_classifier.py
synth_pdb/quality/gnn/graph.py
synth_pdb/quality/gnn/model.py
synth_pdb/quality/models/__init__.py
tests/test_batch_generator.py
tests/test_batch_generator_coverage.py
tests/test_beta_turns.py
tests/test_bfactor.py
tests/test_bfactor_consistency.py
tests/test_biophysics.py
tests/test_biophysics_ext_coverage.py
tests/test_chemical_shifts.py
tests/test_chemical_shifts_coverage.py
tests/test_chirality.py
tests/test_cis_proline.py
tests/test_cofactors.py
tests/test_comment_density.py
tests/test_conformational_diversity.py
tests/test_contact.py
tests/test_coupling.py
tests/test_coverage_gaps.py
tests/test_cyclic_peptide.py
tests/test_d_amino_acids.py
tests/test_dataset.py
tests/test_dataset_npz.py
tests/test_decoys_edge_cases.py
tests/test_distogram.py
tests/test_docking_robustness.py
tests/test_docs_integrity.py
tests/test_dynamics.py
tests/test_educational_examples.py
tests/test_experimental_validation.py
tests/test_export.py
tests/test_generator.py
tests/test_generator_rotamer.py
tests/test_geometry.py
tests/test_geometry_coverage.py
tests/test_geometry_edge_cases.py
tests/test_geometry_njit_coverage.py
tests/test_hard_decoys.py
tests/test_j_coupling.py
tests/test_main_cli.py
tests/test_main_coverage.py
tests/test_main_edge_cases.py
tests/test_main_rdc_and_predictor.py
tests/test_minimization.py
tests/test_msa_coevolution.py
tests/test_msa_energy.py
tests/test_msa_gen.py
tests/test_msa_sampler.py
tests/test_numba_fallback.py
tests/test_occupancy.py
tests/test_optimization.py
tests/test_optimization_coverage.py
tests/test_orientogram.py
tests/test_orientogram_batching.py
tests/test_pdb_utils.py
tests/test_per_region_conformations.py
tests/test_physics_complex.py
tests/test_physics_coverage.py
tests/test_physics_md.py
tests/test_physics_salt_bridge.py
tests/test_plm.py
tests/test_pre_pro_sampling.py
tests/test_ptms.py
tests/test_quality_classifier_coverage.py
tests/test_ramachandran.py
tests/test_ramachandran_polygons.py
tests/test_rdc.py
tests/test_relaxation.py
tests/test_relaxation_coverage.py
tests/test_relaxation_sasa.py
tests/test_research_utils.py
tests/test_ring_currents.py
tests/test_rotamer_distribution.py
tests/test_rotamers.py
tests/test_special_chemistry.py
tests/test_ssbond.py
tests/test_structural_validation.py
tests/test_topological_complexity.py
tests/test_torsion_export.py
tests/test_validator.py
tests/test_viewer.py
tests/test_visualization.py
tests/test_visualization_upgrades.py
tests/test_zinc.py