├── .github ├── ISSUE_TEMPLATE │ ├── bug-report.yml │ ├── documentation.yml │ ├── feature-request.yml │ └── generic-issue.yml └── workflows │ └── docker.yml ├── .gitignore ├── .readthedocs.yml ├── LICENSE ├── MANIFEST.in ├── README.md ├── docs ├── Makefile ├── make.bat ├── requirements.txt └── source │ ├── conf.py │ ├── data.rst │ ├── examples.md │ ├── features.md │ ├── index.rst │ ├── installation.md │ ├── models.rst │ ├── quickstart.md │ ├── requirements.md │ ├── school.md │ ├── task.rst │ ├── train.rst │ ├── utils.rst │ └── weight.rst ├── pyproject.toml ├── requirements.txt ├── setup.py ├── tests ├── conftest.py ├── test_classification.py ├── test_conformer.py ├── test_datareader.py ├── test_datascaler.py ├── test_metrics.py ├── test_multiclass.py ├── test_multilabel_classification.py ├── test_multilabel_regression.py ├── test_regression.py ├── test_representation.py └── utils_net.py └── unimol_tools ├── __init__.py ├── cli ├── __init__.py ├── run_predict.py ├── run_pretrain.py ├── run_repr.py └── run_train.py ├── config ├── __init__.py ├── default.yaml ├── model_config.py ├── predict_config.yaml ├── repr_config.yaml └── train_config.yaml ├── data ├── __init__.py ├── conformer.py ├── datahub.py ├── datareader.py ├── datascaler.py ├── dictionary.py └── split.py ├── models ├── __init__.py ├── loss.py ├── nnmodel.py ├── transformers.py ├── transformersv2.py ├── unimol.py └── unimolv2.py ├── predict.py ├── predictor.py ├── pretrain ├── __init__.py ├── data_utils.py ├── dataset.py ├── loss.py ├── metrics.py ├── preprocess.py ├── pretrain_config.py ├── trainer.py └── unimol.py ├── tasks ├── __init__.py └── trainer.py ├── train.py ├── utils ├── __init__.py ├── base_logger.py ├── config_handler.py ├── dynamic_loss_scaler.py ├── metrics.py └── util.py └── weights ├── __init__.py └── weighthub.py /.github/ISSUE_TEMPLATE/bug-report.yml: -------------------------------------------------------------------------------- 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