*.7z filter=lfs diff=lfs merge=lfs -text *.arrow filter=lfs diff=lfs merge=lfs -text *.bin filter=lfs diff=lfs merge=lfs -text *.bz2 filter=lfs diff=lfs merge=lfs -text *.ckpt filter=lfs diff=lfs merge=lfs -text *.ftz filter=lfs diff=lfs merge=lfs -text *.gz filter=lfs diff=lfs merge=lfs -text *.h5 filter=lfs diff=lfs merge=lfs -text *.joblib filter=lfs diff=lfs merge=lfs -text *.lfs.* filter=lfs diff=lfs merge=lfs -text *.mlmodel filter=lfs diff=lfs merge=lfs -text *.model filter=lfs diff=lfs merge=lfs -text *.msgpack filter=lfs diff=lfs merge=lfs -text *.npy filter=lfs diff=lfs merge=lfs -text *.npz filter=lfs diff=lfs merge=lfs -text *.onnx filter=lfs diff=lfs merge=lfs -text *.ot filter=lfs diff=lfs merge=lfs -text *.parquet filter=lfs diff=lfs merge=lfs -text *.pb filter=lfs diff=lfs merge=lfs -text *.pickle filter=lfs diff=lfs merge=lfs -text *.pkl filter=lfs diff=lfs merge=lfs -text *.pt filter=lfs diff=lfs merge=lfs -text *.pth filter=lfs diff=lfs merge=lfs -text *.rar filter=lfs diff=lfs merge=lfs -text *.safetensors filter=lfs diff=lfs merge=lfs -text saved_model/**/* filter=lfs diff=lfs merge=lfs -text *.tar.* filter=lfs diff=lfs merge=lfs -text *.tar filter=lfs diff=lfs merge=lfs -text *.tflite filter=lfs diff=lfs merge=lfs -text *.tgz filter=lfs diff=lfs merge=lfs -text *.wasm filter=lfs diff=lfs merge=lfs -text *.xz filter=lfs diff=lfs merge=lfs -text *.zip filter=lfs diff=lfs merge=lfs -text *.zst filter=lfs diff=lfs merge=lfs -text *tfevents* filter=lfs diff=lfs merge=lfs -text models/binding_affinity_unpooled.pt filter=lfs diff=lfs merge=lfs -text models/enhancer_class.ckpt filter=lfs diff=lfs merge=lfs -text models/fixed_binding.pt filter=lfs diff=lfs merge=lfs -text models/permeability-xgboost_smiles.json filter=lfs diff=lfs merge=lfs -text models/best_model_hemolysis.json filter=lfs diff=lfs merge=lfs -text models/best_model_nonfouling.json filter=lfs diff=lfs merge=lfs -text models/hemolysis-xgboost_smiles.json filter=lfs diff=lfs merge=lfs -text models/best_model_half_life.pth filter=lfs diff=lfs merge=lfs -text models/best_model_solubility.json filter=lfs diff=lfs merge=lfs -text models/nonfouling-xgboost_smiles.json filter=lfs diff=lfs merge=lfs -text models/fixed_hemo.json filter=lfs diff=lfs merge=lfs -text models/fixed_permeability.json filter=lfs diff=lfs merge=lfs -text models/solubility-xgboost_smiles.json filter=lfs diff=lfs merge=lfs -text models/enhancer_class_hparams.yaml filter=lfs diff=lfs merge=lfs -text embeddings/binding/data-00000-of-00001.arrow filter=lfs diff=lfs merge=lfs -text embeddings/binding/dataset_info.json filter=lfs diff=lfs merge=lfs -text embeddings/binding/state.json filter=lfs diff=lfs merge=lfs -text embeddings/hemolysis/data-00000-of-00001.arrow filter=lfs diff=lfs merge=lfs -text embeddings/hemolysis/dataset_info.json filter=lfs diff=lfs merge=lfs -text embeddings/hemolysis/shuffled_hemo.csv filter=lfs diff=lfs merge=lfs -text embeddings/hemolysis/state.json filter=lfs diff=lfs merge=lfs -text embeddings/permeability/data-00000-of-00001.arrow filter=lfs diff=lfs merge=lfs -text embeddings/permeability/dataset_info.json filter=lfs diff=lfs merge=lfs -text embeddings/permeability/nc-CPP-processed.csv filter=lfs diff=lfs merge=lfs -text embeddings/permeability/state.json filter=lfs diff=lfs merge=lfs -text embeddings/nonfouling/combined_nonfouling.csv filter=lfs diff=lfs merge=lfs -text embeddings/solubility/data-00000-of-00001.arrow filter=lfs diff=lfs merge=lfs -text embeddings/solubility/dataset_info.json filter=lfs diff=lfs merge=lfs -text embeddings/solubility/shuffled_sol.csv filter=lfs diff=lfs merge=lfs -text embeddings/solubility/state.json filter=lfs diff=lfs merge=lfs -text metrics/binding/best_model_val_correlation.png filter=lfs diff=lfs merge=lfs -text metrics/binding/binding_affinity_model_clean.ipynb filter=lfs diff=lfs merge=lfs -text metrics/binding/binding_train_correlation.png filter=lfs diff=lfs merge=lfs -text metrics/binding/binding_utils.py filter=lfs diff=lfs merge=lfs -text metrics/hemolysis/val_predictions_binary.csv filter=lfs diff=lfs merge=lfs -text metrics/hemolysis/optimization_metrics.txt filter=lfs diff=lfs merge=lfs -text metrics/hemolysis/train_classification_plot.png filter=lfs diff=lfs merge=lfs -text metrics/hemolysis/train_predictions_binary.csv filter=lfs diff=lfs merge=lfs -text metrics/hemolysis/val_classification_plot.png filter=lfs diff=lfs merge=lfs -text metrics/permeability/train_correlation.png filter=lfs diff=lfs merge=lfs -text metrics/permeability/train_predictions.csv filter=lfs diff=lfs merge=lfs -text metrics/permeability/val_correlation.png filter=lfs diff=lfs merge=lfs -text metrics/permeability/val_predictions.csv filter=lfs diff=lfs merge=lfs -text metrics/permeability/optimization_metrics.txt filter=lfs diff=lfs merge=lfs -text metrics/solubility/train_predictions_binary.csv filter=lfs diff=lfs merge=lfs -text metrics/solubility/val_classification_plot.png filter=lfs diff=lfs merge=lfs -text metrics/solubility/val_predictions_binary.csv filter=lfs diff=lfs merge=lfs -text metrics/solubility/optimization_metrics.txt filter=lfs diff=lfs merge=lfs -text metrics/solubility/train_classification_plot.png filter=lfs diff=lfs merge=lfs -text metrics filter=lfs diff=lfs merge=lfs -text models filter=lfs diff=lfs merge=lfs -text training_data filter=lfs diff=lfs merge=lfs -text README.md filter=lfs diff=lfs merge=lfs -text embeddings filter=lfs diff=lfs merge=lfs -text models/binding_affinity_for_smiles.pt filter=lfs diff=lfs merge=lfs -text *.csv filter=lfs diff=lfs merge=lfs -text