LICENSE
README.md
pyproject.toml
molbuilder/__init__.py
molbuilder/__main__.py
molbuilder.egg-info/PKG-INFO
molbuilder.egg-info/SOURCES.txt
molbuilder.egg-info/dependency_links.txt
molbuilder.egg-info/entry_points.txt
molbuilder.egg-info/requires.txt
molbuilder.egg-info/top_level.txt
molbuilder/atomic/__init__.py
molbuilder/atomic/bohr.py
molbuilder/atomic/quantum_atom.py
molbuilder/atomic/quantum_numbers.py
molbuilder/atomic/wavefunctions.py
molbuilder/bonding/__init__.py
molbuilder/bonding/covalent.py
molbuilder/bonding/lewis.py
molbuilder/bonding/vsepr.py
molbuilder/cli/__init__.py
molbuilder/cli/demos.py
molbuilder/cli/menu.py
molbuilder/cli/wizard.py
molbuilder/coords/__init__.py
molbuilder/coords/_bounds.py
molbuilder/coords/_embed.py
molbuilder/coords/_optimize.py
molbuilder/coords/_ring_templates.py
molbuilder/coords/_stereo.py
molbuilder/coords/builtin.py
molbuilder/coords/rdkit_backend.py
molbuilder/core/__init__.py
molbuilder/core/bond_data.py
molbuilder/core/constants.py
molbuilder/core/element_properties.py
molbuilder/core/elements.py
molbuilder/core/geometry.py
molbuilder/dynamics/__init__.py
molbuilder/dynamics/forcefield.py
molbuilder/dynamics/integrator.py
molbuilder/dynamics/mechanism_choreography.py
molbuilder/dynamics/mechanisms.py
molbuilder/dynamics/simulation.py
molbuilder/dynamics/trajectory.py
molbuilder/gui/__init__.py
molbuilder/gui/app.py
molbuilder/gui/canvas3d.py
molbuilder/gui/dialogs.py
molbuilder/gui/event_handler.py
molbuilder/gui/sidebar.py
molbuilder/gui/toolbar.py
molbuilder/io/__init__.py
molbuilder/io/json_io.py
molbuilder/io/mol_sdf.py
molbuilder/io/pdb.py
molbuilder/io/smiles_io.py
molbuilder/io/xyz.py
molbuilder/molecule/__init__.py
molbuilder/molecule/amino_acids.py
molbuilder/molecule/builders.py
molbuilder/molecule/conformations.py
molbuilder/molecule/functional_groups.py
molbuilder/molecule/graph.py
molbuilder/molecule/peptides.py
molbuilder/molecule/properties.py
molbuilder/molecule/property_data.py
molbuilder/molecule/stereochemistry.py
molbuilder/process/__init__.py
molbuilder/process/conditions.py
molbuilder/process/costing.py
molbuilder/process/purification.py
molbuilder/process/reactor.py
molbuilder/process/safety.py
molbuilder/process/scale_up.py
molbuilder/process/solvent_systems.py
molbuilder/reactions/__init__.py
molbuilder/reactions/feasibility.py
molbuilder/reactions/functional_group_detect.py
molbuilder/reactions/knowledge_base.py
molbuilder/reactions/reaction_types.py
molbuilder/reactions/reagent_data.py
molbuilder/reactions/retrosynthesis.py
molbuilder/reactions/synthesis_route.py
molbuilder/reports/__init__.py
molbuilder/reports/cost_report.py
molbuilder/reports/molecule_report.py
molbuilder/reports/safety_report.py
molbuilder/reports/synthesis_report.py
molbuilder/reports/text_formatter.py
molbuilder/smiles/__init__.py
molbuilder/smiles/aromatic.py
molbuilder/smiles/parser.py
molbuilder/smiles/ring_geometry.py
molbuilder/smiles/tokenizer.py
molbuilder/smiles/writer.py
molbuilder/visualization/__init__.py
molbuilder/visualization/bohr_viz.py
molbuilder/visualization/electron_density_viz.py
molbuilder/visualization/interaction_controls.py
molbuilder/visualization/interaction_viz.py
molbuilder/visualization/molecule_viz.py
molbuilder/visualization/quantum_viz.py
molbuilder/visualization/theme.py
tests/test_atomic.py
tests/test_bonding.py
tests/test_bonding_graph_coverage.py
tests/test_coords.py
tests/test_core.py
tests/test_coverage_boost.py
tests/test_drug_validation.py
tests/test_dynamics.py
tests/test_edge_cases.py
tests/test_feasibility.py
tests/test_interaction_viz.py
tests/test_io.py
tests/test_mechanisms.py
tests/test_molecule.py
tests/test_pka.py
tests/test_process.py
tests/test_process_coverage.py
tests/test_properties.py
tests/test_reactions.py
tests/test_reports.py
tests/test_ring_geometry.py
tests/test_smiles.py
tests/test_visualization.py