├── .gitignore ├── LICENSE ├── README.md ├── average_ckpt.py ├── convert.py ├── data_provider ├── __init__.py ├── caption_dataset.py ├── chebi_dataset.py ├── context_gen.py ├── data_utils.py ├── molecule_abstract_dataset.py ├── pretrain_dm.py ├── r_smiles.py ├── reaction_action_dataset.py ├── synthesis_dataset.py └── tune_dm.py ├── docs ├── index.html └── static │ ├── css │ ├── bulma-carousel.min.css │ ├── bulma-slider.min.css │ ├── bulma.css.map.txt │ ├── bulma.min.css │ ├── fontawesome.all.min.css │ └── index.css │ ├── images │ ├── context.jpg │ ├── frameworks.jpg │ └── openexp.jpg │ └── js │ ├── bulma-carousel.js │ ├── bulma-carousel.min.js │ ├── bulma-slider.js │ ├── bulma-slider.min.js │ ├── fontawesome.all.min.js │ └── index.js ├── environment.yml ├── figures ├── comparison.jpg ├── context.jpg ├── frameworks.jpg └── openexp.jpg ├── graph_gen.ipynb ├── main.py ├── model ├── allowed_words.json ├── blip2.py ├── blip2_llama.py ├── blip2_model.py ├── blip2_opt.py ├── blip2_t5.py ├── blip2qformer.py ├── dist_funs.py ├── gin_model.py ├── help_funcs.py ├── modeling_llama.py ├── modeling_opt.py └── opt_flash_attention.py ├── openExp ├── .gitignore ├── README.md ├── ds_statistics.py ├── process.py ├── requirements.txt ├── run.sh └── utils.py ├── read_results ├── baselines.py ├── read_results.py ├── score.py ├── t_test.py ├── utils.py └── z-test.ipynb ├── requirements.txt └── scripts ├── run_action.sh ├── run_caption.sh ├── run_chebi.sh ├── run_pretrain.sh └── run_retro.sh /.gitignore: -------------------------------------------------------------------------------- 1 | __pycache__ -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/syr-cn/ReactXT/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: 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