├── CODE_OF_CONDUCT.md ├── CONTRIBUTING.md ├── LICENSE ├── NOTICE ├── README.md ├── abag_agent_setup ├── decision_making.py ├── expand_allowed_mutant_menu.py └── mutant_generator_sampling.py ├── abag_ml ├── DBDataset.py ├── DatasetTemplate.py ├── GPBase.py ├── MultitaskVanillaGPModelDKL.py ├── datasets │ └── tensors │ │ └── example_data │ │ ├── example_data_i.pt │ │ ├── example_data_x.pt │ │ └── example_data_y.pt ├── db_pull.py ├── experimenter.py ├── gpytorch_decision_script.py ├── models_gpytorch.py ├── pareto_selection.py ├── performance_metrics.py ├── scripts │ └── pareto_select_v2130_omicron_vanderbilt_larger.py └── utils.py └── vaccine_advance_core └── featurization ├── featurize_complex.py ├── interface_residues.py ├── seq_to_features.py └── tally_features.py /CODE_OF_CONDUCT.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/LLNL/CRPCA/HEAD/CODE_OF_CONDUCT.md 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