All modules for which code is available
- scine_chemoton.engine
- scine_chemoton.filters.aggregate_filters
- scine_chemoton.filters.elementary_step_filters
- scine_chemoton.filters.further_exploration_filters
- scine_chemoton.filters.reaction_filters
- scine_chemoton.filters.reactive_site_filters
- scine_chemoton.filters.structure_filters
- scine_chemoton.gears
- scine_chemoton.gears.compound
- scine_chemoton.gears.conformers.brute_force
- scine_chemoton.gears.elementary_steps
- scine_chemoton.gears.elementary_steps.brute_force
- scine_chemoton.gears.elementary_steps.minimal
- scine_chemoton.gears.elementary_steps.minimum_energy_conformer
- scine_chemoton.gears.elementary_steps.selected_structures
- scine_chemoton.gears.elementary_steps.trial_generator
- scine_chemoton.gears.elementary_steps.trial_generator.bond_based
- scine_chemoton.gears.elementary_steps.trial_generator.connectivity_analyzer
- scine_chemoton.gears.elementary_steps.trial_generator.fast_dissociations
- scine_chemoton.gears.elementary_steps.trial_generator.fragment_based
- scine_chemoton.gears.elementary_steps.trial_generator.template_based
- scine_chemoton.gears.kinetic_modeling.atomization
- scine_chemoton.gears.kinetic_modeling.kinetic_modeling
- scine_chemoton.gears.kinetic_modeling.kinetx_kinetic_modeling
- scine_chemoton.gears.kinetic_modeling.prepare_kinetic_modeling_job
- scine_chemoton.gears.kinetic_modeling.rms_kinetic_modeling
- scine_chemoton.gears.kinetic_modeling.rms_network_extractor
- scine_chemoton.gears.kinetics
- scine_chemoton.gears.network_refinement.aggregate_based_refinement
- scine_chemoton.gears.network_refinement.calculation_based_refinement
- scine_chemoton.gears.network_refinement.disabling
- scine_chemoton.gears.network_refinement.enabling
- scine_chemoton.gears.network_refinement.reaction_based_refinement
- scine_chemoton.gears.network_refinement.refinement
- scine_chemoton.gears.pathfinder
- scine_chemoton.gears.reaction
- scine_chemoton.gears.rerun_calculations
- scine_chemoton.gears.scheduler
- scine_chemoton.gears.single_point
- scine_chemoton.gears.thermo
- scine_chemoton.reaction_rules
- scine_chemoton.reaction_rules.distance_rules
- scine_chemoton.reaction_rules.element_rules
- scine_chemoton.reaction_rules.polarization_rules
- scine_chemoton.reaction_rules.reaction_rule_library
- scine_chemoton.steering_wheel
- scine_chemoton.steering_wheel.datastructures
- scine_chemoton.steering_wheel.network_expansions
- scine_chemoton.steering_wheel.network_expansions.basics
- scine_chemoton.steering_wheel.network_expansions.conformers
- scine_chemoton.steering_wheel.network_expansions.reactions
- scine_chemoton.steering_wheel.selections
- scine_chemoton.utilities.db_object_wrappers.aggregate_cache
- scine_chemoton.utilities.db_object_wrappers.aggregate_wrapper
- scine_chemoton.utilities.db_object_wrappers.ensemble_wrapper
- scine_chemoton.utilities.db_object_wrappers.reaction_cache
- scine_chemoton.utilities.db_object_wrappers.reaction_wrapper
- scine_chemoton.utilities.db_object_wrappers.thermodynamic_properties
- scine_chemoton.utilities.db_object_wrappers.wrapper_caches
- scine_chemoton.utilities.insert_initial_structure
- scine_chemoton.utilities.masm
- scine_chemoton.utilities.reactive_complexes