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최종 버전 다운로드 (.zip)- tests.yml
- CODE_OF_CONDUCT.md
- CONTRIBUTING.md
- overview.png
- prompt_specs.json
- prompt_specs.json
- t1_0c0ea36bcefee71d4956cfc21454fe12.json
- t2_280b79ef56e06a8af1a7d6b72c52148d.json
- t3_bf6e6641ffc7bf54d328bdb1568e1787.json
- t4_6137420e765c02d74671c89ca569ce41.json
- target1_gt.json
- target2_gt.json
- target3_gt.json
- target4_gt.json
- atorvastatin.json
- out_xx_Atorvastatin0.json
- out_xx_Atorvastatin1.json
- out_xx_Atorvastatin2.json
- out_xx_Atorvastatin3.json
- out_xx_Atorvastatin4.json
- out_xx_Atorvastatin5.json
- out_xx_Strychnine0.json
- out_xx_Strychnine1.json
- out_xx_Strychnine2.json
- out_xx_Strychnine3.json
- out_xx_Strychnine4.json
- out_xx_Strychnine5.json
- out_xx_Strychnine6.json
- prompt_specs.json
- strychnine.json
- output_2025-01-02_165917_46f06d1a1e359b3230cfc1b81473a474.json
- output_2025-01-02_165917_bf6e6641ffc7bf54d328bdb1568e1787.json
- output_2025-01-02_174932_1002fe2d610a74e4478530e12ab930e3.json
- output_2025-01-08_131231_0c0ea36bcefee71d4956cfc21454fe12.json
- output_2025-01-08_171228_280b79ef56e06a8af1a7d6b72c52148d.json
- output_2025-01-08_171441_e579d80f176371344bab95ea15e6b9ab.json
- output_2025-01-08_171655_1823f3241b82133bbca85d6576cbed65.json
- output_2025-01-08_173727_ca06156bee8f14dcf0bd7e14f68eddcc.json
- output_2025-01-08_174026_b7593440c612f17a7201aef6d6667d0b.json
- output_2025-01-08_174324_dfc8116ec63329c437281f7a40dda876.json
- output_2025-01-08_191648_6137420e765c02d74671c89ca569ce41.json
- output_2025-01-08_193436_00813afd159c009f6a6c9bf1207b07f4.json
- output_2025-01-08_195221_564d6fbe8d4540931e8a93ef36c895e2.json
- output_2025-01-08_201007_ea8df340d54596eda93e23f04dff3a9b.json
- output_2025-01-08_202751_4bfe366ec7f5d64678d500f9084cbb35.json
- aizynth_output.json
- cli.rst
- conf.py
- index.rst
- installation.rst
- usage.rst
- labels.csv
- smiles.csv
- __init__.py
- benchmark.json
- evaluation.py
- make_benchmark.ipynb
- make_benchmark.py
- tasks.py
- __init__.py
- base.py
- bond_break.py
- multi_rxn.py
- ringbreaker_depth.py
- __init__.py
- evaluation.py
- prompt_specs.json
- tasks.py
- __init__.py
- __init__.py
- describe.py
- feasibility.py
- fullroute.py
- fullroute_no_feasibility.py
- mechanism_w_human_query.py
- prompts.py
- route_opt.py
- search.py
- toxicity.py
- __init__.py
- llm_router.py
- sequential.py
- alphamol.py
- alphamol2.py
- alphamol_partial.py
- alphamol_w_query.py
- preprint_prompt_last_step_plus_game.py
- preprint_prompt_last_step_plus_game_expert.py
- astar.py
- molecule_set.py
- search.py
- search_algo.py
- sequential.py
- __init__.py
- rxnimg.py
- __init__.py
- __main__.py
- api.py
- cli.py
- logger.py
- version.py
- __init__.py
- test_modules.py
- test_version.py
- .bumpversion.cfg
- .gitignore
- .readthedocs.yml
- all_next_smiles_1.txt
- CITATION.cff
- LICENSE
- pyproject.toml
- README.md
- setup.cfg
- tox.ini
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