├── .gitignore ├── LICENSE ├── README.rst ├── cover.png ├── data ├── .DS_Store ├── Readme.md └── sample_data.tar.bz2 ├── pyproject.toml ├── setup.py ├── t5chem ├── __init__.py ├── __main__.py ├── __version__.py ├── archived │ └── MultiTask.py ├── data_utils.py ├── evaluation.py ├── model.py ├── mol_tokenizers.py ├── preprocessing │ ├── parse_USPTO.py │ └── preprocess_utils.py ├── run_prediction.py ├── run_trainer.py └── vocab │ ├── atom.txt │ ├── selfies.txt │ └── simple.txt ├── tests └── test_sample.py └── tox.ini /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/HelloJocelynLu/t5chem/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/HelloJocelynLu/t5chem/HEAD/LICENSE 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