├── .github └── workflows │ ├── python-package.yml │ └── python-publish.yml ├── .gitignore ├── LICENSE ├── README.md ├── mp_nerf ├── __init__.py ├── kb_proteins.py ├── massive_pnerf.py ├── ml_utils.py ├── proteins.py └── utils.py ├── notebooks ├── experiments │ ├── [131, 150]_info.joblib │ ├── [200, 250]_info.joblib │ ├── [331, 351]_info.joblib │ ├── [400, 450]_info.joblib │ ├── [500, 550]_info.joblib │ ├── [600, 650]_info.joblib │ ├── [700, 780]_info.joblib │ ├── [800, 900]_info.joblib │ ├── [905, 1070]_info.joblib │ ├── [905, 970]_info.joblib │ ├── logs_experiment.txt │ ├── logs_experiment_scn_various_lengths.txt │ └── profile_csv ├── experiments_manual │ ├── analyzed_prots.joblib │ ├── error_evolution.png │ ├── histogram_errors.png │ ├── profiler_capture.png │ └── rclab_data │ │ ├── 1000_ala.pdb │ │ ├── 500_ala.pdb │ │ ├── 5rsa_ribonuclease.pdb │ │ ├── LICENSE │ │ ├── il10_lactate_dh.pdb │ │ └── other_prots.csv ├── extend_measures.ipynb ├── integrated_alanines.py ├── integrated_test.py ├── preds │ ├── labels.pdb │ └── predicted.pdb ├── test_implementation_loop.ipynb ├── test_implementation_speed.ipynb └── xtension │ └── plots │ ├── A_plot_hists.png │ ├── C_plot_hists.png │ ├── D_plot_hists.png │ ├── E_plot_hists.png │ ├── F_plot_hists.png │ ├── G_plot_hists.png │ ├── H_plot_hists.png │ ├── I_plot_hists.png │ ├── K_plot_hists.png │ ├── L_plot_hists.png │ ├── M_plot_hists.png │ ├── N_plot_hists.png │ ├── P_plot_hists.png │ ├── Q_plot_hists.png │ ├── R_plot_hists.png │ ├── S_plot_hists.png │ ├── T_plot_hists.png │ ├── V_plot_hists.png │ ├── W_plot_hists.png │ ├── Y_plot_hists.png │ └── __plot_hists.png ├── setup.cfg ├── setup.py └── tests ├── test_main.py └── test_ml_utils.py /.github/workflows/python-package.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/EleutherAI/mp_nerf/HEAD/.github/workflows/python-package.yml 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