├── LICENSE ├── README.md ├── retroformer ├── dataset.py ├── models │ ├── decoder.py │ ├── embedding.py │ ├── encoder.py │ ├── model.py │ └── module.py ├── rdchiral │ ├── __init__.py │ ├── __pycache__ │ │ ├── __init__.cpython-38.pyc │ │ └── template_extractor.cpython-38.pyc │ ├── bonds.py │ ├── chiral.py │ ├── clean.py │ ├── initialization.py │ ├── main.py │ ├── template_extractor.py │ ├── test │ │ ├── __init__.py │ │ └── test_smiles_from_50k_uspto.txt │ └── utils.py ├── train.py ├── translate.py └── utils │ ├── build_utils.py │ ├── draw_utils.py │ ├── inference_utils.py │ ├── loss_utils.py │ ├── model_utils.py │ ├── smiles_utils.py │ └── translate_utils.py ├── setup.py ├── start.sh └── translate.sh /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/yuewan2/Retroformer/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: 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