├── LICENSE.txt ├── __pycache__ ├── cvTrain.cpython-38.pyc ├── holdout_utils.cpython-37.pyc ├── holdout_utils.cpython-38.pyc ├── onehot_gen.cpython-37.pyc ├── onehot_gen.cpython-38.pyc ├── physchem_gen.cpython-37.pyc ├── physchem_gen.cpython-38.pyc ├── physchemmut_gen.cpython-38.pyc └── physchemvh_gen.cpython-38.pyc ├── cvTrain.py ├── deepNNWeights └── node20 │ ├── checkpoint │ ├── pdAntOH_wts.data-00000-of-00001 │ ├── pdAntOH_wts.index │ ├── pdAntPC_wts.data-00000-of-00001 │ ├── pdAntPC_wts.index │ ├── pdAntUR_wts.data-00000-of-00001 │ ├── pdAntUR_wts.index │ ├── pdPsyOH_wts.data-00000-of-00001 │ ├── pdPsyOH_wts.index │ ├── pdPsyPC_wts.data-00000-of-00001 │ ├── pdPsyPC_wts.index │ ├── pdPsyUR_wts.data-00000-of-00001 │ └── pdPsyUR_wts.index ├── emi_binding.csv ├── emi_pI.txt ├── emi_reps.csv ├── environment.yml ├── figure4_heatmap.csv ├── heatmaps.py ├── holdout_models.py ├── holdout_utils.py ├── igg_binding.csv ├── igg_pI.txt ├── igg_reps.csv ├── iso_binding.csv ├── iso_pI.txt ├── 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