├── .gitignore ├── AUTHORS.md ├── CONTRIBUTING.md ├── LICENSE ├── README.md ├── assets ├── diffabxl_results1.png ├── diffabxl_results2.png └── qr_img.png ├── benchmarking_datasets ├── LICENSE-Absci Her2 datasets.txt ├── LICENSE-Absci IgDesign Datasets.txt ├── absci_her2_sc │ ├── absci_her2_sc.csv │ ├── absci_her2_sc.pdb │ └── absci_her2_sc_parent.csv ├── absci_her2_zs │ ├── absci_her2_zs.csv │ ├── absci_her2_zs.pdb │ └── absci_her2_zs_parent.csv ├── acvr2b │ ├── acvr2b.csv │ ├── acvr2b.pdb │ └── acvr2b_parent.csv ├── c5 │ ├── c5.csv │ ├── c5.pdb │ ├── c5_original.pdb │ └── c5_parent.csv ├── fxi │ ├── fxi.csv │ ├── fxi.pdb │ ├── fxi_original.pdb │ └── fxi_parent.csv ├── il17a │ ├── il17a.csv │ ├── il17a.pdb │ ├── il17a_original.pdb │ └── il17a_parent.csv ├── il36r │ ├── il36r.csv │ ├── il36r.pdb │ ├── il36r_original.pdb │ └── il36r_parent.csv ├── nature_hel │ ├── nature_hel.csv │ ├── nature_hel.pdb │ └── nature_hel_parent.csv ├── nature_her2 │ ├── nature_her2.csv │ ├── nature_her2.pdb │ └── nature_her2_parent.csv ├── tnfrsf9 │ ├── tnfrsf9.csv │ ├── tnfrsf9.pdb │ └── tnfrsf9_parent.csv └── tslp │ ├── tslp.csv │ ├── tslp.pdb │ ├── tslp_original.pdb │ └── tslp_parent.csv ├── compute_loglikelihood.py ├── config └── sabdab.yaml ├── environment.yml ├── pyproject.toml ├── requirements.txt ├── src └── model.py ├── train.py └── utils ├── arguments.py ├── geometry.py ├── load_data.py ├── loss_functions.py ├── model_utils.py ├── protein_constants.py ├── transformations.py ├── utils.py └── utils_diff.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AstraZeneca/DiffAbXL/HEAD/.gitignore -------------------------------------------------------------------------------- /AUTHORS.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AstraZeneca/DiffAbXL/HEAD/AUTHORS.md 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