LICENSE
README.md
pyproject.toml
src/TACTICS/__init__.py
src/TACTICS/data/__init__.py
src/TACTICS/data/thrombin/__init__.py
src/TACTICS/data/thrombin/acids.smi
src/TACTICS/data/thrombin/amino_acids_no_fmoc.smi
src/TACTICS/data/thrombin/coupled_aa_sub.smi
src/TACTICS/data/thrombin/product_scores.csv
src/TACTICS/library_analysis/__init__.py
src/TACTICS/library_analysis/diagnostic_plots.py
src/TACTICS/library_analysis/library_analysis.py
src/TACTICS/library_analysis/library_analysis_utils.py
src/TACTICS/library_analysis/visualization.py
src/TACTICS/library_enumeration/__init__.py
src/TACTICS/library_enumeration/conformer_gen.py
src/TACTICS/library_enumeration/enumeration_utils.py
src/TACTICS/library_enumeration/file_writer.py
src/TACTICS/library_enumeration/generate_products.py
src/TACTICS/library_enumeration/multiprocessing_utils.py
src/TACTICS/library_enumeration/synthesis_pipeline.py
src/TACTICS/library_enumeration/smarts_toolkit/__init__.py
src/TACTICS/library_enumeration/smarts_toolkit/_validator.py
src/TACTICS/library_enumeration/smarts_toolkit/config.py
src/TACTICS/library_enumeration/smarts_toolkit/constants.py
src/TACTICS/thompson_sampling/__init__.py
src/TACTICS/thompson_sampling/baseline.py
src/TACTICS/thompson_sampling/config.py
src/TACTICS/thompson_sampling/diagnostics.py
src/TACTICS/thompson_sampling/factories.py
src/TACTICS/thompson_sampling/presets.py
src/TACTICS/thompson_sampling/core/__init__.py
src/TACTICS/thompson_sampling/core/evaluator_config.py
src/TACTICS/thompson_sampling/core/evaluators.py
src/TACTICS/thompson_sampling/core/parallel_evaluator.py
src/TACTICS/thompson_sampling/core/reagent.py
src/TACTICS/thompson_sampling/core/sampler.py
src/TACTICS/thompson_sampling/legacy/baseline.py
src/TACTICS/thompson_sampling/legacy/config.py
src/TACTICS/thompson_sampling/legacy/disallow_tracker.py
src/TACTICS/thompson_sampling/legacy/enhanced_thompson_sampling.py
src/TACTICS/thompson_sampling/legacy/evaluators.py
src/TACTICS/thompson_sampling/legacy/reagent.py
src/TACTICS/thompson_sampling/legacy/rws_main.py
src/TACTICS/thompson_sampling/legacy/rws_reagent.py
src/TACTICS/thompson_sampling/legacy/rws_run.py
src/TACTICS/thompson_sampling/legacy/rws_sampling.py
src/TACTICS/thompson_sampling/legacy/rws_utils.py
src/TACTICS/thompson_sampling/legacy/standard_thompson_sampling.py
src/TACTICS/thompson_sampling/legacy/thompson_sampling.py
src/TACTICS/thompson_sampling/legacy/ts_logger.py
src/TACTICS/thompson_sampling/legacy/ts_main.py
src/TACTICS/thompson_sampling/legacy/ts_utils.py
src/TACTICS/thompson_sampling/legacy/src/config.py
src/TACTICS/thompson_sampling/legacy/src/disallow_tracker.py
src/TACTICS/thompson_sampling/legacy/src/evaluators.py
src/TACTICS/thompson_sampling/legacy/src/reagent.py
src/TACTICS/thompson_sampling/legacy/src/rws_main.py
src/TACTICS/thompson_sampling/legacy/src/rws_reagent.py
src/TACTICS/thompson_sampling/legacy/src/rws_run.py
src/TACTICS/thompson_sampling/legacy/src/rws_sampling.py
src/TACTICS/thompson_sampling/legacy/src/rws_utils.py
src/TACTICS/thompson_sampling/legacy/src/thompson_sampling.py
src/TACTICS/thompson_sampling/legacy/src/ts_logger.py
src/TACTICS/thompson_sampling/legacy/src/ts_main.py
src/TACTICS/thompson_sampling/legacy/src/ts_utils.py
src/TACTICS/thompson_sampling/strategies/__init__.py
src/TACTICS/thompson_sampling/strategies/base_strategy.py
src/TACTICS/thompson_sampling/strategies/bayes_ucb_selection.py
src/TACTICS/thompson_sampling/strategies/config.py
src/TACTICS/thompson_sampling/strategies/epsilon_greedy.py
src/TACTICS/thompson_sampling/strategies/greedy_selection.py
src/TACTICS/thompson_sampling/strategies/roulette_wheel.py
src/TACTICS/thompson_sampling/strategies/top_two_selection.py
src/TACTICS/thompson_sampling/strategies/ucb_selection.py
src/TACTICS/thompson_sampling/utils/__init__.py
src/TACTICS/thompson_sampling/utils/ts_logger.py
src/TACTICS/thompson_sampling/utils/ts_utils.py
src/TACTICS/thompson_sampling/warmup/__init__.py
src/TACTICS/thompson_sampling/warmup/balanced.py
src/TACTICS/thompson_sampling/warmup/base.py
src/TACTICS/thompson_sampling/warmup/config.py
src/TACTICS/thompson_sampling/warmup/enhanced.py
src/TACTICS/thompson_sampling/warmup/standard.py
src/chem_tactics.egg-info/PKG-INFO
src/chem_tactics.egg-info/SOURCES.txt
src/chem_tactics.egg-info/dependency_links.txt
src/chem_tactics.egg-info/requires.txt
src/chem_tactics.egg-info/top_level.txt
tests/test_bayes_ucb.py
tests/test_cats_v2.py
tests/test_config_direct.py
tests/test_config_validation.py
tests/test_diagnostics.py
tests/test_evaluator_integration.py
tests/test_greedy_selection.py
tests/test_multi_smarts_integration.py
tests/test_product_library_mode.py
tests/test_pydantic_configs.py
tests/test_strategy_integration.py
tests/test_synthesis_pipeline.py
tests/test_thrombin_integration.py
tests/test_top_two_selection.py
tests/test_warmup_integration.py